cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc250rzy
title: CCDC 1996740: Experimental Crystal Structure Determination

description: Related Article: Xuewen HE|2020|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc250s11
title: CCDC 1996742: Experimental Crystal Structure Determination

description: Related Article: Xuewen HE|2020|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc250s22
title: CCDC 1996743: Experimental Crystal Structure Determination

description: Related Article: Xuewen HE|2020|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc250s99
title: CCDC 1996750: Experimental Crystal Structure Determination

description: Related Article: Xuewen HE|2020|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc250sbb
title: CCDC 1996751: Experimental Crystal Structure Determination

description: Related Article: Xuewen HE|2020|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc250sdd
title: CCDC 1996753: Experimental Crystal Structure Determination

description: Related Article: Xuewen HE|2020|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc250sff
title: CCDC 1996754: Experimental Crystal Structure Determination

description: Related Article: Xuewen HE|2020|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc250t34
title: CCDC 1996775: Experimental Crystal Structure Determination

description: Related Article: Regis Guillot|2020|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc250vfh
title: CCDC 1996816: Experimental Crystal Structure Determination

description: Related Article: Carsten Präsang, Armin Berndt, Gertraud Geiseler, Werner Massa|2020|CSD Communication|||
DOI: 10.5281/zenodo.3970968
title: Dataset for "Liquid-vapor coexistence and critical point of Mg2SiO4 from ab-initio simulations"

description: Supplementary datasets
DOI: 10.5281/zenodo.3970967
title: Dataset for "Liquid-vapor coexistence and critical point of Mg2SiO4 from ab-initio simulations"

description: Supplementary datasets
DOI: 10.25345/c5sr07
title: MassIVE MSV000085915 - MOLECULAR_NETWORKING_MASSive_FDR_66_pos_neg
title: Molecular Networking of the fungus trichoderma spirale
DOI: 10.15468/jqptqn
title: Revision of the endemic Malagasy leafhopper tribe Platyjassini (Hemiptera: Cicadellidae: Iassinae)

description: This dataset contains the digitized treatments in Plazi based on the original journal article Dietrich, Christopher H., Magalhães, Raysa Brito de, Takiya, Daniela M. (2020): Revision of the endemic Malagasy leafhopper tribe Platyjassini (Hemiptera: Cicadellidae: Iassinae). European Journal of Taxonomy 695: 1-89, DOI: https://doi.org/10.5852/ejt.2020.695
DOI: 10.24431/rw1k46a
title: Defining critical periods for Yukon and Kuskokwim river Chinook salmon: scale data

description: Chinook salmon (Oncorhychus tshawytscha) are an important cultural, commercial, and sport salmon species to the people of Alaska. Recent sharp declines in Chinook salmon returns to Alaska rivers have lead to disaster declarations by the State of Alaska and Federal Government for some communities. The question is: “where have all the salmon gone?” The study will examine the early marine ecology of Chinook salmon (a key life history period identified in the State of Alaska and Arctic Yukon Kuskokwim Sustainable Salmon Initiative (AYKSSI), Chinook salmon research plans) along the eastern Bering Sea shelf. The first summer at sea is a critical period for juvenile Chinook salmon where survival is dependent on rapid growth in nearshore habitats and attaining sufficient size and energy reserves before winter. Our goal is to assess the effect of climate change and variability on growth, fitness, and survival of juvenile YK Chinook salmon during these critical periods. This proposal will extend the NPRB/BSIERP integrated ecosystem model to YK Chinook salmon. Inputs to the model and improved model parameterization come from the Bering Aleutian Salmon International Survey (BASIS) conducted during August – October (2002 – 2012). Size-selective mortality for YK Chinook salmon during the critical periods will be determined by comparing time series (1970 – 2012) of size distributions of juveniles from the model to those determined from adult scales (survivors). The mechanisms impacting early marine survival will be determined and tested in forecast models for YK Chinook salmon.
DOI: 10.15468/98tbym
title: Solomon’s Gold Mine: Description or redescription of 24 species of Caridina (Crustacea: Decapoda: Atyidae) freshwater shrimps from the Solomon Islands, including 11 new species

description: This dataset contains the digitized treatments in Plazi based on the original journal article Mazancourt, Valentin de, Boseto, David, Marquet, Gerard, Keith, Philippe (2020): Solomon’s Gold Mine: Description or redescription of 24 species of Caridina (Crustacea: Decapoda: Atyidae) freshwater shrimps from the Solomon Islands, including 11 new species. European Journal of Taxonomy 696: 1-86, DOI: https://doi.org/10.5852/ejt.2020.696
DOI: 10.24431/rw1k46b
title: Defining critical periods for Yukon and Kuskokwim river Chinook salmon: biophysical data

description: Chinook salmon (Oncorhychus tshawytscha) are an important cultural, commercial, and sport salmon species to the people of Alaska. Recent sharp declines in Chinook salmon returns to Alaska rivers have lead to disaster declarations by the State of Alaska and Federal Government for some communities. The question is: “where have all the salmon gone?” The study will examine the early marine ecology of Chinook salmon (a key life history period identified in the State of Alaska and Arctic Yukon Kuskokwim Sustainable Salmon Initiative (AYKSSI), Chinook salmon research plans) along the eastern Bering Sea shelf. The first summer at sea is a critical period for juvenile Chinook salmon where survival is dependent on rapid growth in nearshore habitats and attaining sufficient size and energy reserves before winter. Our goal is to assess the effect of climate change and variability on growth, fitness, and survival of juvenile YK Chinook salmon during these critical periods. This proposal will extend the NPRB/BSIERP integrated ecosystem model to YK Chinook salmon. Inputs to the model and improved model parameterization come from the Bering Aleutian Salmon International Survey (BASIS) conducted during August – October (2002 – 2012). Size-selective mortality for YK Chinook salmon during the critical periods will be determined by comparing time series (1970 – 2012) of size distributions of juveniles from the model to those determined from adult scales (survivors). The mechanisms impacting early marine survival will be determined and tested in forecast models for YK Chinook salmon. Due to their size, the output files from this dataset are not included in this archive but are available from the metadata contact upon request.
DOI: 10.5517/ccdc.csd.cc249jff
title: CCDC 1975364: Experimental Crystal Structure Determination

description: Related Article: Junyan Zhu, Dongya Bai, Tengfei Yan, Shi Wang, Yanbo Wang, Jiya Fu, Xiaomin Fang, Junqiu Liu|2020|Angew.Chem.,Int.Ed.|59|13602|doi:10.1002/anie.201916755
DOI: 10.5517/ccdc.csd.cc249jmm
title: CCDC 1975370: Experimental Crystal Structure Determination

description: Related Article: Junyan Zhu, Dongya Bai, Tengfei Yan, Shi Wang, Yanbo Wang, Jiya Fu, Xiaomin Fang, Junqiu Liu|2020|Angew.Chem.,Int.Ed.|59|13602|doi:10.1002/anie.201916755
DOI: 10.5517/ccdc.csd.cc249jnn
title: CCDC 1975371: Experimental Crystal Structure Determination

description: Related Article: Junyan Zhu, Dongya Bai, Tengfei Yan, Shi Wang, Yanbo Wang, Jiya Fu, Xiaomin Fang, Junqiu Liu|2020|Angew.Chem.,Int.Ed.|59|13602|doi:10.1002/anie.201916755
DOI: 10.5517/ccdc.csd.cc249jpp
title: CCDC 1975372: Experimental Crystal Structure Determination

description: Related Article: Junyan Zhu, Dongya Bai, Tengfei Yan, Shi Wang, Yanbo Wang, Jiya Fu, Xiaomin Fang, Junqiu Liu|2020|Angew.Chem.,Int.Ed.|59|13602|doi:10.1002/anie.201916755
DOI: 10.5517/ccdc.csd.cc24c8jb
title: CCDC 1977041: Experimental Crystal Structure Determination

description: Related Article: David Zanders, Goran Bačić, Dominique Leckie, Oluwadamilola Odegbesan, Jeremy Rawson, Jason D. Masuda, Anjana Devi, Seán T. Barry|2020|Angew.Chem.,Int.Ed.|59|14138|doi:10.1002/anie.202001518
DOI: 10.25828/7362-9a65
title: Marriages and Divorces 2017
DOI: 10.25345/c5nx7c
title: MassIVE MSV000085916 - Growth heterosis in maize is associated with expression heterosis of chloroplast ribosomes
title: We have used genome-wide proteomic profiling to examine leaves of hybrids for molecular phenotypes. Profiles of the proteome of maize leaves revealed hybrid-specific differences in the chloroplast and mitochondria; levels of their energy transduction complexes and ribosomes were selectively elevated 10-20% above mid-parent levels. Each of these protein machines is comprised of nuclear-encoded and organelle-encoded subunits and we refer to them as digenomic protein complexes. Expression heterosis of the organelle ribosome proteins was quantitatively predictive of growth heterosis in a set of hybrids. Ethylene biosynthetic enzyme levels were reduced in hybrids and an ethylene biosynthesis mutant in an inbred background partially phenocopied the molecular differences seen in hybrids indicating that reduced ethylene levels may play a role in maize heterosis.
DOI: 10.21227/c0gs-j688
title: Music and Animals' Basic Emotions

description: Music and animal's basic emotions associated with acoustic signals.Files associated with animals’ sounds mainly were based on the records from Volodins Bioacoustic Group Homepage http://www.bioacoustica.org/index_eng.htmlhttp://www.bioacoustica.org/gallery/gallery_rus.html/More details:K. Sapozhnikova, S. Hussein, R. Taymanov, and Iu. Baksheeva, Recognition of expected listeners’ emotions based on the artificial intelligence methods, 28th International Scientific Symposium “Metrology and Metrology Assurance 2018”, 10-14 September 2018, Sozopol, Bulgaria pp.297-302http://metrology-bg.org/fulltextpapers/443.pdf
DOI: 10.4121/uuid:05f4db3e-3685-4365-8121-0b5315f6faae
title: Data from the Cantareira water supply monitoring system

description: This dataset contains information about the monitoring of the Cantareira System, located in the metropolitan region of São Paulo, Brazil. These data refer to rainfall, inflow, interconnection flow between watersheds, water storage level and reservoir operation rules. All these data come from other Brazilian agencies. It also contains evaporation data and the results of hydrological simulations on reservoir inflow and storage level. These were produced by Cemaden.
DOI: 10.14272/tupfbjszmwzfoo-uhfffaoysa-n.1
title: methyl 4-(4-methoxycarbonyl-2-methylphenyl)-3-methylbenzoate
title: InChI=1S/C18H18O4/c1-11-9-13(17(19)21-3)5-7-15(11)16-8-6-14(10-12(16)2)18(20)22-4/h5-10H,1-4H3

description: This dataset contains experimental data from a sample (methyl 4-(4-methoxycarbonyl-2-methylphenyl)-3-methylbenzoate, InChI=1S/C18H18O4/c1-11-9-13(17(19)21-3)5-7-15(11)16-8-6-14(10-12(16)2)18(20)22-4/h5-10H,1-4H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS)
DOI: 10.14272/tupfbjszmwzfoo-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (methyl 4-(4-methoxycarbonyl-2-methylphenyl)-3-methylbenzoate)
title: InChI=1S/C18H18O4/c1-11-9-13(17(19)21-3)5-7-15(11)16-8-6-14(10-12(16)2)18(20)22-4/h5-10H,1-4H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 7.98 (d, 2H, J = 1.5 Hz, CH), 7.92 (dd, 2H, J = 8.0 Hz, J = 1.5 Hz, CH), 7.17 (d, 2H, J = 8.0 Hz, CH), 3.95 (s, 6H, CO2CH3), 2.09 (s, 6H, ArCH3).
DOI: 10.14272/tupfbjszmwzfoo-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (methyl 4-(4-methoxycarbonyl-2-methylphenyl)-3-methylbenzoate)
title: InChI=1S/C18H18O4/c1-11-9-13(17(19)21-3)5-7-15(11)16-8-6-14(10-12(16)2)18(20)22-4/h5-10H,1-4H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3, ppm) δ = 167.0 (2C, CO2CH3), 145.4 (2C, Cq), 135.9 (2C, Cq), 131.1 (2C, C3/3’H), 129.4 (2C, Cq), 129.0 (2C, C5/5’H), 127.0 (2C, C6/6’H), 52.1 (2C, CO2CH3), 19.6 (2C, ArCH3).
DOI: 10.14272/tupfbjszmwzfoo-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (methyl 4-(4-methoxycarbonyl-2-methylphenyl)-3-methylbenzoate)
title: InChI=1S/C18H18O4/c1-11-9-13(17(19)21-3)5-7-15(11)16-8-6-14(10-12(16)2)18(20)22-4/h5-10H,1-4H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 150 °C): 298 (100) [M]+, 267 (69) [M–OCH3]+, 231 (22), 219 (24), 181 (38), 180 (21), 169 (39), 165 (25), 131 (29), 119 (26), 118 (20), 69 (95), 58 (28). HRMS–EI (m/z): [M]+ calcd for C18H18O4, 298.1205; found, 298.1206.
DOI: 10.14272/jzdstrmmqzsyff-uhfffaoysa-n.2
title: 4-[4-(4-carboxyphenyl)-2,5-dimethylphenyl]benzoic acid
title: InChI=1S/C22H18O4/c1-13-11-20(16-5-9-18(10-6-16)22(25)26)14(2)12-19(13)15-3-7-17(8-4-15)21(23)24/h3-12H,1-2H3,(H,23,24)(H,25,26)

description: This dataset contains experimental data from a sample (4-[4-(4-carboxyphenyl)-2,5-dimethylphenyl]benzoic acid, InChI=1S/C22H18O4/c1-13-11-20(16-5-9-18(10-6-16)22(25)26)14(2)12-19(13)15-3-7-17(8-4-15)21(23)24/h3-12H,1-2H3,(H,23,24)(H,25,26)). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS)
DOI: 10.14272/jzdstrmmqzsyff-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-[4-(4-carboxyphenyl)-2,5-dimethylphenyl]benzoic acid)
title: InChI=1S/C22H18O4/c1-13-11-20(16-5-9-18(10-6-16)22(25)26)14(2)12-19(13)15-3-7-17(8-4-15)21(23)24/h3-12H,1-2H3,(H,23,24)(H,25,26)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, DMSO-d6, ppm) δ = 13.00 (bs, 2H, CO2H), 8.03–8.01 (d, 4H, J = 8.0 Hz, CH), 7.53–7.51 (d, 4H, J = 8.0 Hz, CH), 7.20 (s, 2H, CH), 2.24 (s, 6H, ArCH3).
DOI: 10.14272/jzdstrmmqzsyff-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (4-[4-(4-carboxyphenyl)-2,5-dimethylphenyl]benzoic acid)
title: InChI=1S/C22H18O4/c1-13-11-20(16-5-9-18(10-6-16)22(25)26)14(2)12-19(13)15-3-7-17(8-4-15)21(23)24/h3-12H,1-2H3,(H,23,24)(H,25,26)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, DMSO-d6, ppm) δ = 167.2 (2C, CO2H), 145.3 (2C, Cq), 139.8 (2C, Cq), 132.3 (2C, Cq), 131.6 (2C, CH), 129.3 (2C, Cq), 129.3 (4C, CH), 129.2 (4C, CH), 19.5 (2C, ArCH3).
DOI: 10.14272/jzdstrmmqzsyff-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (4-[4-(4-carboxyphenyl)-2,5-dimethylphenyl]benzoic acid)
title: InChI=1S/C22H18O4/c1-13-11-20(16-5-9-18(10-6-16)22(25)26)14(2)12-19(13)15-3-7-17(8-4-15)21(23)24/h3-12H,1-2H3,(H,23,24)(H,25,26)

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 150 °C): 347 (23), 346 (100) [M]+, 331 (8) [M–CH3]+, 329 (7) [M–OH]+, 301 (6) [M–CO2H]+, 281 (8), 269 (6), 257 (6), 248 (40), 231 (18), 181 (32), 169 (15), 155 (19), 121 (30), 119 (21), 97 (17), 83 (18), 69 (75), 58 (55), 57 (32). HRMS–EI (m/z): [M]+ calcd for C22H18O4, 346.1205; found, 346.1205.
DOI: 10.7910/dvn/1c6hyc/6gplua
title: 2020PGY_CovidMexicoKAPStudyBrief_ENG.pdf

description: :unav
DOI: 10.14272/hknhbznrylzpmh-uhfffaoysa-n.1
title: 4-[4-[4-(4-carboxyphenyl)phenyl]phenyl]benzoic acid
title: InChI=1S/C26H18O4/c27-25(28)23-13-9-21(10-14-23)19-5-1-17(2-6-19)18-3-7-20(8-4-18)22-11-15-24(16-12-22)26(29)30/h1-16H,(H,27,28)(H,29,30)

description: This dataset contains experimental data from a sample (4-[4-[4-(4-carboxyphenyl)phenyl]phenyl]benzoic acid, InChI=1S/C26H18O4/c27-25(28)23-13-9-21(10-14-23)19-5-1-17(2-6-19)18-3-7-20(8-4-18)22-11-15-24(16-12-22)26(29)30/h1-16H,(H,27,28)(H,29,30)). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) high-resolution mass spectrometry (HRMS)
DOI: 10.14272/hknhbznrylzpmh-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-[4-[4-(4-carboxyphenyl)phenyl]phenyl]benzoic acid)
title: InChI=1S/C26H18O4/c27-25(28)23-13-9-21(10-14-23)19-5-1-17(2-6-19)18-3-7-20(8-4-18)22-11-15-24(16-12-22)26(29)30/h1-16H,(H,27,28)(H,29,30)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, DMSO-d6, ppm) δ = 13.03 (bs, 2H, CO2H), 8.05–8.03 (m, 4H, CH), 7.90–7.86 (m, 12H, CH).
DOI: 10.14272/hknhbznrylzpmh-uhfffaoysa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-[4-[4-(4-carboxyphenyl)phenyl]phenyl]benzoic acid)
title: InChI=1S/C26H18O4/c27-25(28)23-13-9-21(10-14-23)19-5-1-17(2-6-19)18-3-7-20(8-4-18)22-11-15-24(16-12-22)26(29)30/h1-16H,(H,27,28)(H,29,30)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 8.24–8.21 (m, 4H, CH), 7.81–7.78 (m, 4H, CH), 7.78 (s, 8H, CH). Missing signal (2H, CO2H).
DOI: 10.14272/hknhbznrylzpmh-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (4-[4-[4-(4-carboxyphenyl)phenyl]phenyl]benzoic acid)
title: InChI=1S/C26H18O4/c27-25(28)23-13-9-21(10-14-23)19-5-1-17(2-6-19)18-3-7-20(8-4-18)22-11-15-24(16-12-22)26(29)30/h1-16H,(H,27,28)(H,29,30)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, DMSO-d6, ppm) δ = 164.8 (2C, CO2H), 143.3 (2C, Cq), 130.0 (4C, CH), 127.6 (4C, CH), 127.3 (4C, CH). Missing/invisible signals due to very low solubility (10C, CH and Cq).
DOI: 10.14272/hknhbznrylzpmh-uhfffaoysa-n/chmo0000595.1
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (4-[4-[4-(4-carboxyphenyl)phenyl]phenyl]benzoic acid)
title: InChI=1S/C26H18O4/c27-25(28)23-13-9-21(10-14-23)19-5-1-17(2-6-19)18-3-7-20(8-4-18)22-11-15-24(16-12-22)26(29)30/h1-16H,(H,27,28)(H,29,30)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3, ppm) δ = 127.4 (4C, CH), 127.7 (4C, CH), 127.9 (4C, CH), 132.1 (4C, CH). Missing/invisible signals due to very low solubility (10C, Cq).
DOI: 10.14272/hknhbznrylzpmh-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) (4-[4-[4-(4-carboxyphenyl)phenyl]phenyl]benzoic acid)
title: InChI=1S/C26H18O4/c27-25(28)23-13-9-21(10-14-23)19-5-1-17(2-6-19)18-3-7-20(8-4-18)22-11-15-24(16-12-22)26(29)30/h1-16H,(H,27,28)(H,29,30)

description: dataset for high-resolution mass spectrometry (HRMS) HRMS–FAB (m/z): [M + H]+ calcd for C26H19O4, 395.1283; found, 395.1283.
DOI: 10.14272/fztiwobqqyptcj-uhfffaoysa-n.1
title: 4-[4-(4-carboxyphenyl)phenyl]benzoic acid
title: InChI=1S/C20H14O4/c21-19(22)17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(12-8-16)20(23)24/h1-12H,(H,21,22)(H,23,24)

description: This dataset contains experimental data from a sample (4-[4-(4-carboxyphenyl)phenyl]benzoic acid, InChI=1S/C20H14O4/c21-19(22)17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(12-8-16)20(23)24/h1-12H,(H,21,22)(H,23,24)). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS) high-resolution mass spectrometry (HRMS)
DOI: 10.14272/fztiwobqqyptcj-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (4-[4-(4-carboxyphenyl)phenyl]benzoic acid)
title: InChI=1S/C20H14O4/c21-19(22)17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(12-8-16)20(23)24/h1-12H,(H,21,22)(H,23,24)

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 220 °C): 318 (3) [M]+, 301 (1) [M]+, 274 (44) [MH–CO2H]+, 228 (8) [M–CO2H–CO2H]+.
DOI: 10.14272/fztiwobqqyptcj-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-[4-(4-carboxyphenyl)phenyl]benzoic acid)
title: InChI=1S/C20H14O4/c21-19(22)17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(12-8-16)20(23)24/h1-12H,(H,21,22)(H,23,24)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3, ppm) δ = 8.24–8.21 (m, 4H, CH), 7.80–7.78 (m, 4H, CH), 7.78 (s, 4H, CH). Missing signal (2H, CO2H).
DOI: 10.14272/fztiwobqqyptcj-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) (4-[4-(4-carboxyphenyl)phenyl]benzoic acid)
title: InChI=1S/C20H14O4/c21-19(22)17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(12-8-16)20(23)24/h1-12H,(H,21,22)(H,23,24)

description: dataset for high-resolution mass spectrometry (HRMS) HRMS–EI (m/z): [M]+ calcd for C20H14O4, 318.0892; found, 318.0893.
DOI: 10.14272/fztiwobqqyptcj-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (4-[4-(4-carboxyphenyl)phenyl]benzoic acid)
title: InChI=1S/C20H14O4/c21-19(22)17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(12-8-16)20(23)24/h1-12H,(H,21,22)(H,23,24)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3, ppm) δ = 168.2 (2C, CO2H), 147.2 (2C, Cq), 139.7 (2C, Cq), 132.4 (2C, Cq), 132.3 (4C, CH), 128.3 (4C, CH), 127.6 (4C, CH).
DOI: 10.14272/ophzseabtwhykh-uhfffaoysa-n.2
title: 4-[4-(4-carboxyphenyl)-3-methylphenyl]benzoic acid
title: InChI=1S/C21H16O4/c1-13-12-18(14-2-6-16(7-3-14)20(22)23)10-11-19(13)15-4-8-17(9-5-15)21(24)25/h2-12H,1H3,(H,22,23)(H,24,25)

description: This dataset contains experimental data from a sample (4-[4-(4-carboxyphenyl)-3-methylphenyl]benzoic acid, InChI=1S/C21H16O4/c1-13-12-18(14-2-6-16(7-3-14)20(22)23)10-11-19(13)15-4-8-17(9-5-15)21(24)25/h2-12H,1H3,(H,22,23)(H,24,25)). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS) high-resolution mass spectrometry (HRMS)
DOI: 10.14272/ophzseabtwhykh-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (4-[4-(4-carboxyphenyl)-3-methylphenyl]benzoic acid)
title: InChI=1S/C21H16O4/c1-13-12-18(14-2-6-16(7-3-14)20(22)23)10-11-19(13)15-4-8-17(9-5-15)21(24)25/h2-12H,1H3,(H,22,23)(H,24,25)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, DMSO-d6, ppm) δ = 167.2 (CO2H), 167.2 (CO2H), 145.2 (Cq), 143.8 (Cq), 140.3 (Cq), 138.5 (Cq), 135.7 (Cq), 130.2 (CH), 130.0 (2C, CH), 129.7 (Cq), 129.5 (Cq), 129.4 (2C, CH), 129.3 (2C, CH), 129.1 (CH), 126.8 (2C, CH), 124.7 (CH), 20.3 (ArCH3).
DOI: 10.14272/ophzseabtwhykh-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (4-[4-(4-carboxyphenyl)-3-methylphenyl]benzoic acid)
title: InChI=1S/C21H16O4/c1-13-12-18(14-2-6-16(7-3-14)20(22)23)10-11-19(13)15-4-8-17(9-5-15)21(24)25/h2-12H,1H3,(H,22,23)(H,24,25)

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 220 °C): 332 (10) [M]+, 387 (3) [M–CO2H]+, 386 (6) [M–H–CO2H]+, 242 (48) [M–CO2H–CO2H]+. HRMS–EI (m/z): [M]+ calcd for C21H16O4, 332.1049; found, 332.1041.
DOI: 10.14272/ophzseabtwhykh-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-[4-(4-carboxyphenyl)-3-methylphenyl]benzoic acid)
title: InChI=1S/C21H16O4/c1-13-12-18(14-2-6-16(7-3-14)20(22)23)10-11-19(13)15-4-8-17(9-5-15)21(24)25/h2-12H,1H3,(H,22,23)(H,24,25)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, DMSO-d6, ppm) δ = 12.90 (bs, 2H, CO2H), 8.04–8.02 (m, 4H, CH), 7.86–7.84 (m, 2H, CH), 7.71 (d, 1H, J = 1.5 Hz, CH), 7.64 (dd, 1H, J = 8.0 Hz, J = 1.5 Hz, CH), 7.53–7.51 (m, 2H, CH), 7.35 (d, 1H, J = 8.0 Hz, CH), 2.33 (s, 3H, ArCH3).
DOI: 10.14272/ophzseabtwhykh-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) (4-[4-(4-carboxyphenyl)-3-methylphenyl]benzoic acid)
title: InChI=1S/C21H16O4/c1-13-12-18(14-2-6-16(7-3-14)20(22)23)10-11-19(13)15-4-8-17(9-5-15)21(24)25/h2-12H,1H3,(H,22,23)(H,24,25)

description: dataset for high-resolution mass spectrometry (HRMS) HRMS–EI (m/z): [M]+ calcd for C21H16O4, 332.1049; found, 332.1041.
DOI: 10.4121/uuid:3580bdca-3982-459e-9189-fab3ce42d858
title: none

description: dataset permanently removed
DOI: 10.4121/uuid:affd645c-bb97-43df-ba88-bff46654594b
title: Stone Stability Under Non-uniform Flow (part 3)

description: The data in this dataset are now included in .