cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc25vpyp
title: CCDC 2021663: Experimental Crystal Structure Determination

description: Related Article: Sara López-Resano, Sara Martínez de Salinas, Felipe A. Garcés-Pineda, Andrea Moneo-Corcuera, José Ramón Galán-Mascarós, Feliu Maseras, Mónica H. Pérez-Temprano|2021|Angew.Chem.,Int.Ed.|60|11217|doi:10.1002/anie.202101390
DOI: 10.5517/ccdc.csd.cc25x57j
title: CCDC 2023067: Experimental Crystal Structure Determination

description: Related Article: Jeremy E. Weber, Faraj Hasanayn, Majed Fataftah, Brandon Q. Mercado, Robert H. Crabtree, Patrick L. Holland|2021|Inorg.Chem.|60|6115|doi:10.1021/acs.inorgchem.0c03778
DOI: 10.5517/ccdc.csd.cc25x58k
title: CCDC 2023068: Experimental Crystal Structure Determination

description: Related Article: Jeremy E. Weber, Faraj Hasanayn, Majed Fataftah, Brandon Q. Mercado, Robert H. Crabtree, Patrick L. Holland|2021|Inorg.Chem.|60|6115|doi:10.1021/acs.inorgchem.0c03778
DOI: 10.5517/ccdc.csd.cc25x59l
title: CCDC 2023069: Experimental Crystal Structure Determination

description: Related Article: Jeremy E. Weber, Faraj Hasanayn, Majed Fataftah, Brandon Q. Mercado, Robert H. Crabtree, Patrick L. Holland|2021|Inorg.Chem.|60|6115|doi:10.1021/acs.inorgchem.0c03778
DOI: 10.5517/ccdc.csd.cc26pdw6
title: CCDC 2046368: Experimental Crystal Structure Determination

description: Related Article: Shang-Zheng Sun, Laura Talavera, Philipp Spieß, Craig S. Day, Ruben Martin|2021|Angew.Chem.,Int.Ed.|60|11740|doi:10.1002/anie.202100810
DOI: 10.5517/ccdc.csd.cc26qm9w
title: CCDC 2047528: Experimental Crystal Structure Determination

description: Related Article: Shang-Zheng Sun, Laura Talavera, Philipp Spieß, Craig S. Day, Ruben Martin|2021|Angew.Chem.,Int.Ed.|60|11740|doi:10.1002/anie.202100810
DOI: 10.5517/ccdc.csd.cc26qq0p
title: CCDC 2047612: Experimental Crystal Structure Determination

description: Related Article: Sophie B. Rubashkin, Wan-Yi Chu, Karen I. Goldberg|2021|Organometallics|40|1296|doi:10.1021/acs.organomet.1c00080
DOI: 10.5517/ccdc.csd.cc26qq1q
title: CCDC 2047613: Experimental Crystal Structure Determination

description: Related Article: Sophie B. Rubashkin, Wan-Yi Chu, Karen I. Goldberg|2021|Organometallics|40|1296|doi:10.1021/acs.organomet.1c00080
DOI: 10.5517/ccdc.csd.cc26qq2r
title: CCDC 2047614: Experimental Crystal Structure Determination

description: Related Article: Sophie B. Rubashkin, Wan-Yi Chu, Karen I. Goldberg|2021|Organometallics|40|1296|doi:10.1021/acs.organomet.1c00080
DOI: 10.5517/ccdc.csd.cc26qq3s
title: CCDC 2047615: Experimental Crystal Structure Determination

description: Related Article: Sophie B. Rubashkin, Wan-Yi Chu, Karen I. Goldberg|2021|Organometallics|40|1296|doi:10.1021/acs.organomet.1c00080
DOI: 10.5517/ccdc.csd.cc26qq4t
title: CCDC 2047616: Experimental Crystal Structure Determination

description: Related Article: Sophie B. Rubashkin, Wan-Yi Chu, Karen I. Goldberg|2021|Organometallics|40|1296|doi:10.1021/acs.organomet.1c00080
DOI: 10.5517/ccdc.csd.cc26qq5v
title: CCDC 2047617: Experimental Crystal Structure Determination

description: Related Article: Sophie B. Rubashkin, Wan-Yi Chu, Karen I. Goldberg|2021|Organometallics|40|1296|doi:10.1021/acs.organomet.1c00080
DOI: 10.5517/ccdc.csd.cc26qq6w
title: CCDC 2047618: Experimental Crystal Structure Determination

description: Related Article: Sophie B. Rubashkin, Wan-Yi Chu, Karen I. Goldberg|2021|Organometallics|40|1296|doi:10.1021/acs.organomet.1c00080
DOI: 10.5517/ccdc.csd.cc26qq7x
title: CCDC 2047619: Experimental Crystal Structure Determination

description: Related Article: Sophie B. Rubashkin, Wan-Yi Chu, Karen I. Goldberg|2021|Organometallics|40|1296|doi:10.1021/acs.organomet.1c00080
DOI: 10.5517/ccdc.csd.cc26qq8y
title: CCDC 2047620: Experimental Crystal Structure Determination

description: Related Article: Sophie B. Rubashkin, Wan-Yi Chu, Karen I. Goldberg|2021|Organometallics|40|1296|doi:10.1021/acs.organomet.1c00080
DOI: 10.5517/ccdc.csd.cc26sj4p
title: CCDC 2049352: Experimental Crystal Structure Determination

description: Related Article: Chi Liu, Chuanle Zhu, Yingying Cai, Huanfeng Jiang|2021|Angew.Chem.,Int.Ed.|60|12038|doi:10.1002/anie.202017271
DOI: 10.5517/ccdc.csd.cc26sj5q
title: CCDC 2049353: Experimental Crystal Structure Determination

description: Related Article: Chi Liu, Chuanle Zhu, Yingying Cai, Huanfeng Jiang|2021|Angew.Chem.,Int.Ed.|60|12038|doi:10.1002/anie.202017271
DOI: 10.5517/ccdc.csd.cc26wq61
title: CCDC 2052423: Experimental Crystal Structure Determination

description: Related Article: Rajata Kumar Sahoo, Nabin Sarkar, Sharanappa Nembenna|2021|Angew.Chem.,Int.Ed.|60|11991|doi:10.1002/anie.202100375
DOI: 10.5517/ccdc.csd.cc26wq72
title: CCDC 2052424: Experimental Crystal Structure Determination

description: Related Article: Rajata Kumar Sahoo, Nabin Sarkar, Sharanappa Nembenna|2021|Angew.Chem.,Int.Ed.|60|11991|doi:10.1002/anie.202100375
DOI: 10.5517/ccdc.csd.cc26wq83
title: CCDC 2052425: Experimental Crystal Structure Determination

description: Related Article: Rajata Kumar Sahoo, Nabin Sarkar, Sharanappa Nembenna|2021|Angew.Chem.,Int.Ed.|60|11991|doi:10.1002/anie.202100375
DOI: 10.5517/ccdc.csd.cc26xvrr
title: CCDC 2053525: Experimental Crystal Structure Determination

description: Related Article: Ekaterina E. Galenko, Mariya A. Kryukova, Mikhail S. Novikov, Alexander F. Khlebnikov|2021|J.Org.Chem.|86|6888|doi:10.1021/acs.joc.1c00286
DOI: 10.5517/ccdc.csd.cc26xvss
title: CCDC 2053526: Experimental Crystal Structure Determination

description: Related Article: Ekaterina E. Galenko, Mariya A. Kryukova, Mikhail S. Novikov, Alexander F. Khlebnikov|2021|J.Org.Chem.|86|6888|doi:10.1021/acs.joc.1c00286
DOI: 10.5517/ccdc.csd.cc26xvtt
title: CCDC 2053527: Experimental Crystal Structure Determination

description: Related Article: Ekaterina E. Galenko, Mariya A. Kryukova, Mikhail S. Novikov, Alexander F. Khlebnikov|2021|J.Org.Chem.|86|6888|doi:10.1021/acs.joc.1c00286
DOI: 10.5281/zenodo.4761057
title: One Million Years at a Glance

description: The present calendar has been designed in such a way that it will work for ten-hundred-thousand years. It starts from 01 January 0001 - the commencement of Anno Domini and will last until 31 December 10,00,000 - the end of the present billennium.
description: The author has received CSIR Innovation Award 2016 from Hon'ble Prime Minister of India, for this innovation, on 26 Sep 2016 at Vijnana Bhawan, New Delhi. It has been mentioned in Golden Book of World Records.
DOI: 10.5281/zenodo.4761056
title: One Million Years at a Glance

description: The present calendar has been designed in such a way that it will work for ten-hundred-thousand years. It starts from 01 January 0001 - the commencement of Anno Domini and will last until 31 December 10,00,000 - the end of the present billennium.
description: The author has received CSIR Innovation Award 2016 from Hon'ble Prime Minister of India, for this innovation, on 26 Sep 2016 at Vijnana Bhawan, New Delhi. It has been mentioned in Golden Book of World Records.
DOI: 10.6084/m9.figshare.14595534.v1
title: Immune response evaluated through RNA-seq

description: Expression of immune response genes in sponges under warming and acidification stress described through transcriptome sequencing
DOI: 10.6084/m9.figshare.14595603
title: Transcripts sequences

description: Sequences for all differentially expressed transcripts for each genotype and treatment <br>
DOI: 10.6084/m9.figshare.14595603.v1
title: Transcripts sequences

description: Sequences for all differentially expressed transcripts for each genotype and treatment <br>
DOI: 10.15468/gsmgm2
title: Lagenophora (Asteraceae, Astereae) in New Caledonia

description: This dataset contains the digitized treatments in Plazi based on the original journal article Lannuzel, Guillaume, Gateble, Gildas, R. Bean, Anthony, Wang, Jian (2021): Lagenophora (Asteraceae, Astereae) in New Caledonia. PhytoKeys 177: 125-138, DOI: http://dx.doi.org/10.3897/phytokeys.177.63116, URL: http://dx.doi.org/10.3897/phytokeys.177.63116
DOI: 10.15468/67z9nh
title: On a noteworthy habitat type in the savannahs of Central Cuba and a remarkable new species of Elytraria (Acanthaceae)

description: This dataset contains the digitized treatments in Plazi based on the original journal article Greuter, Werner, Rodriguez, Rankin (2021): On a noteworthy habitat type in the savannahs of Central Cuba and a remarkable new species of Elytraria (Acanthaceae). PhytoKeys 177: 117-124, DOI: http://dx.doi.org/10.3897/phytokeys.177.64764, URL: http://dx.doi.org/10.3897/phytokeys.177.64764
DOI: 10.15468/8ucveq
title: Taxonomic revision of Martinella Baill. (Bignonieae, Bignoniaceae)

description: This dataset contains the digitized treatments in Plazi based on the original journal article Kataoka, Eric Y., Lohmann, Lucia G. (2021): Taxonomic revision of Martinella Baill. (Bignonieae, Bignoniaceae). PhytoKeys 177: 77-116, DOI: http://dx.doi.org/10.3897/phytokeys.177.64465, URL: http://dx.doi.org/10.3897/phytokeys.177.64465
DOI: 10.15468/vrca3q
title: Redescription of Gnorimosphaeroma oregonense (Dana, 1853) (Crustacea, Isopoda, Sphaeromatidae), designation of neotype, and 16 S-rDNA molecular phylogeny of the north-eastern Pacific species

description: This dataset contains the digitized treatments in Plazi based on the original journal article Wetzer, Regina, Wall, Adam, Bruce, Niel L. (2021): Redescription of Gnorimosphaeroma oregonense (Dana, 1853) (Crustacea, Isopoda, Sphaeromatidae), designation of neotype, and 16 S-rDNA molecular phylogeny of the north-eastern Pacific species. ZooKeys 1037: 23-56, DOI: http://dx.doi.org/10.3897/zookeys.1037.63017, URL: http://dx.doi.org/10.3897/zookeys.1037.63017
DOI: 10.15468/upfcfd
title: Three new species of the primitively segmented spider genus Songthela (Araneae, Mesothelae) from Guizhou Province, China

description: This dataset contains the digitized treatments in Plazi based on the original journal article Chen, Zhaoyang, Li, Dengqing, Li, Daiqin, Xu, Xin (2021): Three new species of the primitively segmented spider genus Songthela (Araneae, Mesothelae) from Guizhou Province, China. ZooKeys 1037: 57-71, DOI: http://dx.doi.org/10.3897/zookeys.1037.62916, URL: http://dx.doi.org/10.3897/zookeys.1037.62916
DOI: 10.15468/mbfayt
title: Myrmecotypus mazaxoides sp. nov. - a new ground-dwelling, carpenter ant-resembling sac spider species from the Bolivian orocline, with indirect evidence for species-specific mimicry (Araneae, Corinnidae, Castianeirinae)

description: This dataset contains the digitized treatments in Plazi based on the original journal article Perger, Robert, Duperre, Nadine (2021): Myrmecotypus mazaxoides sp. nov. - a new ground-dwelling, carpenter ant-resembling sac spider species from the Bolivian orocline, with indirect evidence for species-specific mimicry (Araneae, Corinnidae, Castianeirinae). Zoosystematics and Evolution 97 (1): 273-280, DOI: http://dx.doi.org/10.3897/zse.97.64766, URL: http://dx.doi.org/10.3897/zse.97.64766
DOI: 10.6084/m9.figshare.6163916
title: Supplementary Data

description: &gt; Supplementary Figure (SF) 1 - Environmental Profile of Tank Setup&gt; SF 2 - PCA plots of expression values (normalized log CPM) &gt; SF 3 - Heat maps of expression values (normalized log CPM) &gt; Supplementary Table (ST) 1 Pairwise comparisons among sequence-aligned transcripts matching to the same protein &gt; ST 2 Sequencing statistics for each cDNA library. &gt; ST 3 Summary of results for empirical analysis of differential gene expression<br>(EDGE). <br>&gt; ST 4 Overall list of differentially-expressed transcripts.&gt; ST 5 Differentially-expressed genes across treatments and . genotypes.<br>&gt;Electropherogram Summaries of cDNA libraries<br><br><br>
DOI: 10.6084/m9.figshare.6163916.v10
title: Supplementary Data

description: &gt; Supplementary Figure (SF) 1 - Environmental Profile of Tank Setup&gt; SF 2 - PCA plots of expression values (normalized log CPM) &gt; SF 3 - Heat maps of expression values (normalized log CPM) &gt; Supplementary Table (ST) 1 Pairwise comparisons among sequence-aligned transcripts matching to the same protein &gt; ST 2 Sequencing statistics for each cDNA library. &gt; ST 3 Summary of results for empirical analysis of differential gene expression<br>(EDGE). <br>&gt; ST 4 Overall list of differentially-expressed transcripts.&gt; ST 5 Differentially-expressed genes across treatments and . genotypes.<br>&gt;Electropherogram Summaries of cDNA libraries<br><br><br>
DOI: 10.6084/m9.figshare.6163916.v9
title: Supplementary Data

description: &gt; Supplementary Figure (SF) 1 - Environmental Profile of Tank Setup&gt; SF 2 - PCA plots of expression values (normalized log CPM) &gt; SF 3 - Heat maps of expression values (normalized log CPM) &gt; Supplementary Table (ST) 1 Pairwise comparisons among sequence-aligned transcripts matching to the same protein &gt; ST 2 Sequencing statistics for each cDNA library. &gt; ST 3 Summary of results for empirical analysis of differential gene expression<br>(EDGE). <br>&gt; ST 4 Overall list of differentially-expressed transcripts.&gt; ST 5 Differentially-expressed genes across treatments and . genotypes.<br>&gt;Electropherogram Summaries of cDNA libraries<br><br><br>
DOI: 10.34808/d3az-hz26
title: SEM examination of surface layer of C45 steel after grinding on defferent depth

description: Ferrite examination for the medium carbon structural steel with low content of Mn, Si, Cu, Cr and Ni after its grinding to a depth of 2 µm, 8 µm, 14 µm and 20 µm, at constant wheel circumferential speed of vs = 25 m/s and constant feed rate vft = 1 m/min. It was shown that the grinding of C45 steel causes strong work hardening of ferrite in surface layer without phase transformation.
DOI: 10.14272/fjgpndurhclnnx-iifgqyimsa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C53H38N6/c1-4-14-34(15-5-1)49-41-24-26-43(56-41)50(35-16-6-2-7-17-35)45-28-30-47(58-45)53(38-21-11-10-20-37(38)52(39-22-12-32-54-39)40-23-13-33-55-40)48-31-29-46(59-48)51(36-18-8-3-9-19-36)44-27-25-42(49)57-44/h1-33,52,54-56,59H/b49-41-,49-42-,50-43-,50-45-,51-44-,51-46-,53-47-,53-48-

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/fjgpndurhclnnx-iifgqyimsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C53H38N6/c1-4-14-34(15-5-1)49-41-24-26-43(56-41)50(35-16-6-2-7-17-35)45-28-30-47(58-45)53(38-21-11-10-20-37(38)52(39-22-12-32-54-39)40-23-13-33-55-40)48-31-29-46(59-48)51(36-18-8-3-9-19-36)44-27-25-42(49)57-44/h1-33,52,54-56,59H/b49-41-,49-42-,50-43-,50-45-,51-44-,51-46-,53-47-,53-48-

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, toluene-d8) [ppm] δ = 145.5 (Cq), 142.9 (Cq), 142.7 (Cq), 141.2 (Cq), 137.5 (Cq or CH), 134.9 (+, CH), 134.9 (+, CH), 134.8 (+, CH), 134.1 (Cq or CH), 132.4 (Cq), 129.2 (+, CH), 128.2 (+, CH), 128.1 (+, CH), 127.9 (+, CH), 127.8 (+, CH), 126.9 (+, CH), 126.9 (+, CH), 125.6 (+, CH), 125.4 (+, CH), 120.8 (Cq), 120.6 (Cq), 118.2 (+, CH), 116.3 (+, CH), 41.8 (+, CH). Missing signals (29C) due to symmetry and signal overlap.H grease [ppm] 30.3, other impurities [ppm] 32.8, 30.7, 29.9, 27.7.
DOI: 10.14272/fjgpndurhclnnx-iifgqyimsa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C53H38N6/c1-4-14-34(15-5-1)49-41-24-26-43(56-41)50(35-16-6-2-7-17-35)45-28-30-47(58-45)53(38-21-11-10-20-37(38)52(39-22-12-32-54-39)40-23-13-33-55-40)48-31-29-46(59-48)51(36-18-8-3-9-19-36)44-27-25-42(49)57-44/h1-33,52,54-56,59H/b49-41-,49-42-,50-43-,50-45-,51-44-,51-46-,53-47-,53-48-

description: dataset for mass spectrometry (MS) MS (ESI): m/z (%) = 759.3 (33) [M+H]+, 643.2 (100). HRMS (C53H38N6): Cald 759.3236, Found: 759.3225.Peaks with higher mass do all have similar isotope patterns and can be assigned to small molecule adducts e.g.(C53H37N6O) Calcd 773.3029, Found 773.3017 (porphyrin-oxidized-dipyrromethane-OH-adduct).
DOI: 10.14272/fjgpndurhclnnx-iifgqyimsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C53H38N6/c1-4-14-34(15-5-1)49-41-24-26-43(56-41)50(35-16-6-2-7-17-35)45-28-30-47(58-45)53(38-21-11-10-20-37(38)52(39-22-12-32-54-39)40-23-13-33-55-40)48-31-29-46(59-48)51(36-18-8-3-9-19-36)44-27-25-42(49)57-44/h1-33,52,54-56,59H/b49-41-,49-42-,50-43-,50-45-,51-44-,51-46-,53-47-,53-48-

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, toluene-d8) [ppm] δ = 8.88–8.83 (m, 4H, Hpyrrole), 8.79 (d, 3J = 4.7 Hz, 2H, Hpyrrole), 8.66 (d, 3J = 4.8 Hz, 2H, Hpyrrole), 8.13–8.04 (m, 6H, Haromatic), 7.95 (dd. J = 7.5, 1.4 Hz, 1H, Haromatic), 7.69 (dd, J = 8.1, 1.4 Hz, 1H, Haromatic), 7.53–7.42 (m, 10H, Haromatic), 7.34 (td, J = 7.5, 1.4 Hz, 1H, Haromatic), 6.30 (bs, 2H, NHdipyrromethane), 6.04 (dd, J = 6.5, 2.8 Hz, 2H, Hdipyrromethane), 5.93–5.85 (m, 4H, Hdipyrromethane), 4.98 (s, 1H, Hdipyrromethane), –2.19 (bs, 2H, NH). Porphyrin-oxidized-dipyrromethan [ppm] 8.54 (d), 6.16 (td), 6.12 (q), 6.00 (dd), –2.26 (bs), EtOAc [ppm] 3.86 (q), 1.64 (s), 0.95 (t), CH2Cl2 [ppm] 4.29 (s); H grease [ppm] 0.98 –0.85, H2O [ppm] 0.37 (bs), silicon grease [ppm] 0.29 (s).other impurities: 9.65 (d, J = 0.9 Hz), , 1.41 (s), 1.36 (s), 0.65 (s), We estimate that unassigned H-atom contributions to the NMR spectrum were &lt; 5% overall by hydrogen content.
DOI: 10.14272/fjgpndurhclnnx-iifgqyimsa-n.1
title: C53H38N6
title: InChI=1S/C53H38N6/c1-4-14-34(15-5-1)49-41-24-26-43(56-41)50(35-16-6-2-7-17-35)45-28-30-47(58-45)53(38-21-11-10-20-37(38)52(39-22-12-32-54-39)40-23-13-33-55-40)48-31-29-46(59-48)51(36-18-8-3-9-19-36)44-27-25-42(49)57-44/h1-33,52,54-56,59H/b49-41-,49-42-,50-43-,50-45-,51-44-,51-46-,53-47-,53-48-

description: This dataset contains experimental data from a sample (InChI=1S/C53H38N6/c1-4-14-34(15-5-1)49-41-24-26-43(56-41)50(35-16-6-2-7-17-35)45-28-30-47(58-45)53(38-21-11-10-20-37(38)52(39-22-12-32-54-39)40-23-13-33-55-40)48-31-29-46(59-48)51(36-18-8-3-9-19-36)44-27-25-42(49)57-44/h1-33,52,54-56,59H/b49-41-,49-42-,50-43-,50-45-,51-44-,51-46-,53-47-,53-48-). The datasets from the following experiments are available: infrared absorption spectroscopy (IR) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS) 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/fjgpndurhclnnx-iifgqyimsa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C53H38N6/c1-4-14-34(15-5-1)49-41-24-26-43(56-41)50(35-16-6-2-7-17-35)45-28-30-47(58-45)53(38-21-11-10-20-37(38)52(39-22-12-32-54-39)40-23-13-33-55-40)48-31-29-46(59-48)51(36-18-8-3-9-19-36)44-27-25-42(49)57-44/h1-33,52,54-56,59H/b49-41-,49-42-,50-43-,50-45-,51-44-,51-46-,53-47-,53-48-

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3410 (w), 3309 (w), 3050 (w), 3017 (w), 2919 (w), 2847 (w), 1691 (w), 1595 (w), 1554 (w), 1469 (w), 1439 (w), 1400 (w), 1347 (w), 1213 (w), 1176 (m), 1153 (m), 1111 (m), 1069 (s), 1054 (s), 1030 (s), 1000 (m), 979 (m), 965 (vs), 798 (vs), 748 (m), 720 (vs), 698 (vs), 656 (m), 640 (m), 463 (vs), 452 (vs), 439 (vs), 425 (s), 416 (vs), 398 (s), 382 (s) cm–1.
DOI: 10.14272/qozskccxexnqrl-dazozzhlsa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C120H74N12.2Ni/c1-9-29-73(30-10-1)109-85-49-53-89(121-85)111(75-33-13-3-14-34-75)93-57-65-101(125-93)117(102-66-58-94(126-102)112(76-35-15-4-16-36-76)90-54-50-86(109)122-90)81-45-25-27-47-83(81)119-105-69-61-97(129-105)115(79-41-21-7-22-42-79)99-63-71-107(131-99)120(108-72-64-100(132-108)116(80-43-23-8-24-44-80)98-62-70-106(119)130-98)84-48-28-26-46-82(84)118-103-67-59-95(127-103)113(77-37-17-5-18-38-77)91-55-51-87(123-91)110(74-31-11-2-12-32-74)88-52-56-92(124-88)114(78-39-19-6-20-40-78)96-60-68-104(118)128-96;;/h1-72,129,132H;;/q-4;2*+2/b109-85-,109-86-,110-87-,110-88-,111-89-,111-93-,112-90-,112-94-,113-91-,113-95-,114-92-,114-96-,115-97-,115-99-,116-98-,116-100-,117-101-,117-102-,118-103-,118-104-,119-105-,119-106-,120-107-,120-108-;;

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2958 (s), 2922 (vs), 2853 (m), 1591 (vs), 1572 (s), 1472 (vs), 1439 (vs), 1422 (vs), 1375 (vs), 1317 (vs), 1264 (vs), 1221 (vs), 1017 (vs), 769 (vs), 742 (vs), 701 (vs), 686 (vs), 613 (vs) cm–1.
DOI: 10.14272/qozskccxexnqrl-dazozzhlsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C120H74N12.2Ni/c1-9-29-73(30-10-1)109-85-49-53-89(121-85)111(75-33-13-3-14-34-75)93-57-65-101(125-93)117(102-66-58-94(126-102)112(76-35-15-4-16-36-76)90-54-50-86(109)122-90)81-45-25-27-47-83(81)119-105-69-61-97(129-105)115(79-41-21-7-22-42-79)99-63-71-107(131-99)120(108-72-64-100(132-108)116(80-43-23-8-24-44-80)98-62-70-106(119)130-98)84-48-28-26-46-82(84)118-103-67-59-95(127-103)113(77-37-17-5-18-38-77)91-55-51-87(123-91)110(74-31-11-2-12-32-74)88-52-56-92(124-88)114(78-39-19-6-20-40-78)96-60-68-104(118)128-96;;/h1-72,129,132H;;/q-4;2*+2/b109-85-,109-86-,110-87-,110-88-,111-89-,111-93-,112-90-,112-94-,113-91-,113-95-,114-92-,114-96-,115-97-,115-99-,116-98-,116-100-,117-101-,117-102-,118-103-,118-104-,119-105-,119-106-,120-107-,120-108-;;

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, DCM-d2, ppm) δ = 140.8 (Cq), 134.7 (Cq), 134.3 (Cq), 133.9 (Cq), 133.3 (Cq), 131.6 (Cq), 130.5 (+, CH), 129.2 (Cq), 128.3 (+, CH), 128.2 (+, CH), 128.1 (+, CH), 128.0 (+, CH), 127.5 (+, CH), 127.1 (+, CH), 126.8 (+, CH), 120.6 (Cq), 119.8 (+, CH), 118.5 (Cq), 116.4 (Cq). Missing signals (101C) due to signal overlap and line broadening. Impurities: CDCl3 [ppm] 77.9, H grease [ppm] 30.3, other impurities [ppm] 32.5, 29.9, 23.3, 14.4 ppm.
DOI: 10.14272/qozskccxexnqrl-dazozzhlsa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C120H74N12.2Ni/c1-9-29-73(30-10-1)109-85-49-53-89(121-85)111(75-33-13-3-14-34-75)93-57-65-101(125-93)117(102-66-58-94(126-102)112(76-35-15-4-16-36-76)90-54-50-86(109)122-90)81-45-25-27-47-83(81)119-105-69-61-97(129-105)115(79-41-21-7-22-42-79)99-63-71-107(131-99)120(108-72-64-100(132-108)116(80-43-23-8-24-44-80)98-62-70-106(119)130-98)84-48-28-26-46-82(84)118-103-67-59-95(127-103)113(77-37-17-5-18-38-77)91-55-51-87(123-91)110(74-31-11-2-12-32-74)88-52-56-92(124-88)114(78-39-19-6-20-40-78)96-60-68-104(118)128-96;;/h1-72,129,132H;;/q-4;2*+2/b109-85-,109-86-,110-87-,110-88-,111-89-,111-93-,112-90-,112-94-,113-91-,113-95-,114-92-,114-96-,115-97-,115-99-,116-98-,116-100-,117-101-,117-102-,118-103-,118-104-,119-105-,119-106-,120-107-,120-108-;;

description: dataset for mass spectrometry (MS) HRMS (C120H74N12Ni2H): calcd 1799.4945, found 1799.4969.