cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2cl74c
title: CCDC 2192262: Experimental Crystal Structure Determination

description: Related Article: Jiahuan Deng, Songyang Yuan, Hui Xiong, Zhipeng Ma, Wenwen Wu, Mengqi Wang, Zaizhu Lou, Jiandong Fan, Wenzhe Li|2023|Chem (Cell Press)|9|1929|doi:10.1016/j.chempr.2023.03.014
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2f7bgh
title: CCDC 2241376: Experimental Crystal Structure Determination

description: Related Article: Hassan Farhid, Hanieh Mohammadi Araghi, Ahmad Shaabani, Behrouz Notash|2023|J.Mol.Struct.|1292|136143|doi:10.1016/j.molstruc.2023.136143
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.57745/o6p5op
title: OCS_Sauternais_cadastre_ca1850_symbologie.qml

description: Fichier de styles de couches QGIS
DOI: 10.57745/qwxhna
title: OCS_Sauternais_cadastre_ca1850_SHP.zip

description: Fichiers Shapefile de l'OCS, SCR RGF93 / Lambert-93 (EPSG:2154)
DOI: 10.6073/pasta/1a9a07395b6f56f8e55982cf068a1c2f
title: Jornada Basin LTER Cross-scale Interactions Study (CSIS) Block 10 meteorological station: Daily average soil volumetric water content data: 2013 - ongoing

description: Daily Average of 30-minute Soil Volumetric Water Content data at 10 cm at CSIS Block-10. Collection of soil water content data at Jornada LTER Cross-scale Interactions Study (CSIS) blocks, New Mexico, supports the environmental monitoring objectives of the Jornada LTER monitoring program that look at plant-soil water dynamics. Soil volumetric water content is measured every 30 minutes at 10 cm depth at 3 locations at each of the 4 plots per block and averaged for the daily value. The locations in each plot are under bare soil, under perennial grass, and under shrub. Volumetric water content, bulk electrical conductivity, soil temperature, and bulk dielectric permittivity are recorded at an automated meteorological station installed at Jornada LTER CSIS Block-10 site. This is an ONGOING dataset.
DOI: 10.25345/c55h7c445
title: MassIVE MSV000092484 - GNPS Detection of helichrysum krausii secondary metabolites in E.coli
title: Detection of Helichrysum krausii metabolites found inside dead or bacteria cells
DOI: 10.25386/genetics.22194526
title: Supplemental Material for Payseur et al., 2023

description: Genotypes at more than 11,000 SNPs for F2s generated by crossing strains of Gough Island mice and WSB mice.
DOI: 10.25386/genetics.22194526.v1
title: Supplemental Material for Payseur et al., 2023

description: Genotypes at more than 11,000 SNPs for F2s generated by crossing strains of Gough Island mice and WSB mice.
DOI: 10.6073/pasta/ddbd18b6fad29df307a1aa951cd74e24
title: Jornada Basin LTER Cross-scale Interactions Study (CSIS) Block 10 meteorological station: Daily summary data: 2013 - ongoing

description: This data package contains hourly air temperature, relative humidity, wind speed, wind direction, and precipitation summary data from Jornada Basin LTER Cross Scale Interactions Study (CSIS) Block-10 met station. Air temperature, relative humidity, wind speed, wind direction, and precipitation are measured and calculated at an automated meteorological station connected to a 900 MHz spread spectrum wireless network. Wind speed is measured at 37cm, 75 cm, 150 cm, and 300 cm, wind direction at approximately 3m, and air temperature and relative humidity at approximate 2.5m. Measurements are aggregated at intervals of 5, 30, 60 minutes and daily, with precipitation additionally provided with 1 second aggregation during precipitation events. The met station variables measured include air temperature, precipitation, relative humidity, wind direction, wind speed. Precipitation is not measured at Block 1 and Block 12 because of proximity to Block 2 and Block 13, respectively . This is an ONGOING dataset.
DOI: 10.25810/gyv-zg57.63
title: New Zealand Newspaper Coverage of Climate Change or Global Warming, 2000-2023 - June 2023

description: The Media and Climate Change Observatory Data monitors 127 sources (across newspapers, radio and TV) in 59 countries in seven different regions around the world. Data is assembled by accessing archives through the Lexis Nexis, Proquest and Factiva databases via the University of Colorado libraries. More information may be found at: http://mecco.colorado.edu.
DOI: 10.25810/3gtp-yy33.42
title: North American Newspaper Coverage of Climate Change or Global Warming, 2000-2023 - June 2023

description: The Media and Climate Change Observatory Data monitors 127 sources (across newspapers, radio and TV) in 59 countries in seven different regions around the world. Data is assembled by accessing archives through the Lexis Nexis, Proquest and Factiva databases via the University of Colorado libraries. More information may be found at: http://mecco.colorado.edu.
DOI: 10.5517/ccdc.csd.cc2fkvyt
title: CCDC 2251497: Experimental Crystal Structure Determination

description: Related Article: Ryosuke Masuda, Satoru Kuwano, Kei Goto|2023|J.Am.Chem.Soc.|145|14184|doi:10.1021/jacs.3c03394
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fsck5
title: CCDC 2257747: Experimental Crystal Structure Determination

description: Related Article: Kazuki Ishizaki, Daisuke Takagi, Toru Asahi, Masahiro Kuramochi, Takuya Taniguchi|2023|Cryst.Growth Des.|23|5330|doi:10.1021/acs.cgd.3c00524
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fscl6
title: CCDC 2257748: Experimental Crystal Structure Determination

description: Related Article: Kazuki Ishizaki, Daisuke Takagi, Toru Asahi, Masahiro Kuramochi, Takuya Taniguchi|2023|Cryst.Growth Des.|23|5330|doi:10.1021/acs.cgd.3c00524
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fscm7
title: CCDC 2257749: Experimental Crystal Structure Determination

description: Related Article: Kazuki Ishizaki, Daisuke Takagi, Toru Asahi, Masahiro Kuramochi, Takuya Taniguchi|2023|Cryst.Growth Des.|23|5330|doi:10.1021/acs.cgd.3c00524
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fscn8
title: CCDC 2257750: Experimental Crystal Structure Determination

description: Related Article: Kazuki Ishizaki, Daisuke Takagi, Toru Asahi, Masahiro Kuramochi, Takuya Taniguchi|2023|Cryst.Growth Des.|23|5330|doi:10.1021/acs.cgd.3c00524
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fscp9
title: CCDC 2257751: Experimental Crystal Structure Determination

description: Related Article: Kazuki Ishizaki, Daisuke Takagi, Toru Asahi, Masahiro Kuramochi, Takuya Taniguchi|2023|Cryst.Growth Des.|23|5330|doi:10.1021/acs.cgd.3c00524
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fscqb
title: CCDC 2257752: Experimental Crystal Structure Determination

description: Related Article: Kazuki Ishizaki, Daisuke Takagi, Toru Asahi, Masahiro Kuramochi, Takuya Taniguchi|2023|Cryst.Growth Des.|23|5330|doi:10.1021/acs.cgd.3c00524
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fscrc
title: CCDC 2257753: Experimental Crystal Structure Determination

description: Related Article: Kazuki Ishizaki, Daisuke Takagi, Toru Asahi, Masahiro Kuramochi, Takuya Taniguchi|2023|Cryst.Growth Des.|23|5330|doi:10.1021/acs.cgd.3c00524
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fscsd
title: CCDC 2257754: Experimental Crystal Structure Determination

description: Related Article: Kazuki Ishizaki, Daisuke Takagi, Toru Asahi, Masahiro Kuramochi, Takuya Taniguchi|2023|Cryst.Growth Des.|23|5330|doi:10.1021/acs.cgd.3c00524
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fsctf
title: CCDC 2257755: Experimental Crystal Structure Determination

description: Related Article: Kazuki Ishizaki, Daisuke Takagi, Toru Asahi, Masahiro Kuramochi, Takuya Taniguchi|2023|Cryst.Growth Des.|23|5330|doi:10.1021/acs.cgd.3c00524
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fscvg
title: CCDC 2257756: Experimental Crystal Structure Determination

description: Related Article: Kazuki Ishizaki, Daisuke Takagi, Toru Asahi, Masahiro Kuramochi, Takuya Taniguchi|2023|Cryst.Growth Des.|23|5330|doi:10.1021/acs.cgd.3c00524
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fscwh
title: CCDC 2257757: Experimental Crystal Structure Determination

description: Related Article: Kazuki Ishizaki, Daisuke Takagi, Toru Asahi, Masahiro Kuramochi, Takuya Taniguchi|2023|Cryst.Growth Des.|23|5330|doi:10.1021/acs.cgd.3c00524
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fscxj
title: CCDC 2257758: Experimental Crystal Structure Determination

description: Related Article: Kazuki Ishizaki, Daisuke Takagi, Toru Asahi, Masahiro Kuramochi, Takuya Taniguchi|2023|Cryst.Growth Des.|23|5330|doi:10.1021/acs.cgd.3c00524
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fxppr
title: CCDC 2261905: Experimental Crystal Structure Determination

description: Related Article: Nazaret Moreno-Rodriguez, L. Gabriel Borrego, Rocío Recio, Victoria Valdivia, M. Carmen Nicasio, Eleuterio Álvarez, Noureddine Khiar, Inmaculada Fernández|2023|Org.Biomol.Chem.|21|5827|doi:10.1039/D3OB00816A
description: Related Article: Nazaret Moreno-Rodriguez, L. Gabriel Borrego, Rocío Recio, Victoria Valdivia, M. Carmen Nicasio, Eleuterio Álvarez, Noureddine Khiar, Inmaculada Fernández|2023|Org.Biomol.Chem.|21|5827|doi:10.1039/D3OB00816A
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2fxpqs
title: CCDC 2261906: Experimental Crystal Structure Determination

description: Related Article: Nazaret Moreno-Rodriguez, L. Gabriel Borrego, Rocío Recio, Victoria Valdivia, M. Carmen Nicasio, Eleuterio Álvarez, Noureddine Khiar, Inmaculada Fernández|2023|Org.Biomol.Chem.|21|5827|doi:10.1039/D3OB00816A
description: Related Article: Nazaret Moreno-Rodriguez, L. Gabriel Borrego, Rocío Recio, Victoria Valdivia, M. Carmen Nicasio, Eleuterio Álvarez, Noureddine Khiar, Inmaculada Fernández|2023|Org.Biomol.Chem.|21|5827|doi:10.1039/D3OB00816A
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.14272/vdhcjohmoyolgm-uhfffaoysa-n.1
title: C12H12N2O3S
title: InChI=1S/C12H12N2O3S/c1-3-17-11-8(2)18-12(13-11)9-4-6-10(7-5-9)14(15)16/h4-7H,3H2,1-2H3

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367]. The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]: InChI descriptor[cheminf_000113]: InChI=1S/C12H12N2O3S/c1-3-17-11-8(2)18-12(13-11)9-4-6-10(7-5-9)14(15)16/h4-7H,3H2,1-2H3, and canonical SMILES descriptor[cheminf_000007]: CCOc1nc(sc1C)c1ccc(cc1)[N+](=O)[O-], and by the IUPAC name[cheminf_000107]: . The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]: The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-35108 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: 85.0 (°C) Boiling point descriptor[CHEMINF_000257]: Refractive index descriptor[CHEMINF_000253]: The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]: CHMO:0000630 | infrared absorption spectroscopy (IR) CHMO:0000796 | high-performance liquid chromatography-mass spectrometry (HPLC-MS) CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: Used ontologies: CHEBI - Chemical Entities of Biological Interest CHEMINF - chemical information ontology (information entities about chemical entities) CHMO - Chemical Methods Ontology OBI - Ontology for Biomedical Investigations
DOI: 10.14272/vdhcjohmoyolgm-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C12H12N2O3S/c1-3-17-11-8(2)18-12(13-11)9-4-6-10(7-5-9)14(15)16/h4-7H,3H2,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (62 MHz, CDCl3 [7.26 ppm], ppm) δ = 8.12 (q, J = 9.2 Hz, 4H), 4.44 (q, J = 7.2 Hz, 2H), 2.34 (s, 3H), 1.41 (t, J = 7.1 Hz, 3H).
DOI: 10.14272/vdhcjohmoyolgm-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C12H12N2O3S/c1-3-17-11-8(2)18-12(13-11)9-4-6-10(7-5-9)14(15)16/h4-7H,3H2,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (75 MHz, Chloroform-d [77.0 ppm], ppm) δ = 161.1, 156.0, 147.8, 139.7, 125.8 (2C), 124.4 (2C), 110.3, 66.6, 15.4, 9.6.
DOI: 10.14272/vdhcjohmoyolgm-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C12H12N2O3S/c1-3-17-11-8(2)18-12(13-11)9-4-6-10(7-5-9)14(15)16/h4-7H,3H2,1-2H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2979 (w), 2929 (w), 2912 (w), 2858 (w), 1596 (m), 1542 (vs), 1509 (s), 1498 (s), 1479 (m), 1459 (w), 1439 (m), 1405 (w), 1384 (w), 1363 (w), 1331 (vs), 1276 (m), 1251 (m), 1229 (w), 1176 (m), 1146 (s), 1104 (vs), 1031 (s), 979 (s), 949 (w), 930 (w), 851 (vs), 821 (w), 764 (w), 750 (s), 710 (w), 702 (w), 685 (vs) cm–1.
DOI: 10.14272/vdhcjohmoyolgm-uhfffaoysa-n/chmo0000796
title: high-performance liquid chromatography-mass spectrometry (HPLC-MS) ()
title: InChI=1S/C12H12N2O3S/c1-3-17-11-8(2)18-12(13-11)9-4-6-10(7-5-9)14(15)16/h4-7H,3H2,1-2H3

description: dataset for high-performance liquid chromatography-mass spectrometry (HPLC-MS) MS(ESI) m/z = 265.1 [M+H]+
DOI: 10.6073/pasta/a965585a127ff77b296729e6706d15f8
title: Jornada Basin LTER Cross-scale Interactions Study (CSIS) Block 11 meteorological station: 30-minute soil volumetric water content data: 2013 - ongoing

description: 30-minute Soil Moisture data at 10 cm at CSIS Block-11. Collection of soil volumetric water content data at Jornada LTER Cross-scale Interactions Study (CSIS) blocks, New Mexico, supports the environmental monitoring objectives of the Jornada LTER monitoring program that look at plant-soil water dynamics. Soil volumetric water content is measured at 10 cm depth at 3 locations at each of the 4 plots per block. The locations in each plot are under bare soil, under perennial grass, and under shrub. Volumetric water content, bulk electrical conductivity, soil temperature, and bulk dielectric permittivity are recorded every 30 minutes at an automated meteorological station installed at Jornada LTER CSIS Block-11 site. This is an ONGOING dataset.
DOI: 10.25810/00zk-yj28.51
title: Norwegian Newspaper Coverage of Climate Change or Global Warming, 2000-2023 - June 2023

description: The Media and Climate Change Observatory Data monitors 127 sources (across newspapers, radio and TV) in 59 countries in seven different regions around the world. Data is assembled by accessing archives through the Lexis Nexis, Proquest and Factiva databases via the University of Colorado libraries. More information may be found at: http://mecco.colorado.edu.
DOI: 10.14272/dxbayoysryrpqh-uhfffaoysa-n.1
title: C16H22N2O3SSi
title: InChI=1S/C16H22N2O3SSi/c1-11-14(21-23(5,6)16(2,3)4)17-15(22-11)12-8-7-9-13(10-12)18(19)20/h7-10H,1-6H3

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367]. The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]: InChI descriptor[cheminf_000113]: InChI=1S/C16H22N2O3SSi/c1-11-14(21-23(5,6)16(2,3)4)17-15(22-11)12-8-7-9-13(10-12)18(19)20/h7-10H,1-6H3, and canonical SMILES descriptor[cheminf_000007]: Cc1sc(nc1O[Si](C(C)(C)C)(C)C)c1cccc(c1)[N+](=O)[O-], and by the IUPAC name[cheminf_000107]: . The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]: The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-35103 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: 108.0 (°C) Boiling point descriptor[CHEMINF_000257]: Refractive index descriptor[CHEMINF_000253]: The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]: CHMO:0000630 | infrared absorption spectroscopy (IR) CHMO:0000796 | high-performance liquid chromatography-mass spectrometry (HPLC-MS) CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: Used ontologies: CHEBI - Chemical Entities of Biological Interest CHEMINF - chemical information ontology (information entities about chemical entities) CHMO - Chemical Methods Ontology OBI - Ontology for Biomedical Investigations
DOI: 10.14272/dxbayoysryrpqh-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C16H22N2O3SSi/c1-11-14(21-23(5,6)16(2,3)4)17-15(22-11)12-8-7-9-13(10-12)18(19)20/h7-10H,1-6H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (300 MHz, CDCl3 [7.26 ppm], ppm) δ = 8.61 (d, J = 2.1 Hz, 1H), 8.22–8.08 (m, 2H), 7.56 (t, J = 8.0 Hz, 1H), 2.30 (s, 3H), 1.03 (s, 9H), 0.34 (s, 6H).
DOI: 10.14272/dxbayoysryrpqh-uhfffaoysa-n/chmo0000796
title: high-performance liquid chromatography-mass spectrometry (HPLC-MS) ()
title: InChI=1S/C16H22N2O3SSi/c1-11-14(21-23(5,6)16(2,3)4)17-15(22-11)12-8-7-9-13(10-12)18(19)20/h7-10H,1-6H3

description: dataset for high-performance liquid chromatography-mass spectrometry (HPLC-MS) MS(ESI) m/z = 351.1 [M+H]+
DOI: 10.14272/dxbayoysryrpqh-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C16H22N2O3SSi/c1-11-14(21-23(5,6)16(2,3)4)17-15(22-11)12-8-7-9-13(10-12)18(19)20/h7-10H,1-6H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (75 MHz, Chloroform-d [77.0 ppm], ppm) δ = 157.7, 155.7, 149.0, 135.9, 130.8, 129.9, 123.5, 120.1, 109.8, 26.0 (3C), 18.3, 9.8, -4.1(2C).