cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/cppjlxfxhycgon-udsygatosa-n.1
title: [5,15-bis(4-ethynylphenyl)porphyrin]-zinc(II)
title: InChI=1S/C36H20N4.Zn/c1-3-23-5-9-25(10-6-23)35-31-17-13-27(37-31)21-29-15-19-33(39-29)36(26-11-7-24(4-2)8-12-26)34-20-16-30(40-34)22-28-14-18-32(35)38-28;/h1-2,5-22H;/q-2;+2/b27-21-,28-22-,29-21-,30-22-,35-31-,35-32-,36-33-,36-34-;

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/C36H20N4.Zn/c1-3-23-5-9-25(10-6-23)35-31-17-13-27(37-31)21-29-15-19-33(39-29)36(26-11-7-24(4-2)8-12-26)34-20-16-30(40-34)22-28-14-18-32(35)38-28;/h1-2,5-22H;/q-2;+2/b27-21-,28-22-,29-21-,30-22-,35-31-,35-32-,36-33-,36-34-;, and canonical SMILES descriptor[cheminf_000007]: C#Cc1ccc(cc1)/C/1=C/2\C=CC(=N2)/C=c/2\n3[Zn]n4c1ccc4/C=C\1/C=CC(=N1)/C(=c\3/cc2)/c1ccc(cc1)C#C, 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-31090 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: 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:0002337 | electrospray ionisation quadrupole detection (ESI Q Trap) CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) CHMO:0000156 | X-ray diffraction (XRD) CHMO:0000630 | infrared absorption spectroscopy (IR) CHMO:0000292 | ultraviolet-visible spectrophotometry (UV-VIS) 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/cppjlxfxhycgon-udsygatosa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C36H20N4.Zn/c1-3-23-5-9-25(10-6-23)35-31-17-13-27(37-31)21-29-15-19-33(39-29)36(26-11-7-24(4-2)8-12-26)34-20-16-30(40-34)22-28-14-18-32(35)38-28;/h1-2,5-22H;/q-2;+2/b27-21-,28-22-,29-21-,30-22-,35-31-,35-32-,36-33-,36-34-;

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3289, 1786, 1703, 1601, 1585, 1558, 1547, 1517, 1493, 1468, 1459, 1451, 1431, 1392, 1330, 1315, 1282, 1247, 1227, 1210, 1173, 1145, 1101, 1058, 986, 977, 953, 898, 888, 850, 830, 807, 785, 776, 731, 718, 700, 662, 650, 625, 612, 605, 562, 551, 530, 509, 459 cm–1.
DOI: 10.14272/cppjlxfxhycgon-udsygatosa-n/chmo0002337
title: electrospray ionisation quadrupole detection (ESI Q Trap) ()
title: InChI=1S/C36H20N4.Zn/c1-3-23-5-9-25(10-6-23)35-31-17-13-27(37-31)21-29-15-19-33(39-29)36(26-11-7-24(4-2)8-12-26)34-20-16-30(40-34)22-28-14-18-32(35)38-28;/h1-2,5-22H;/q-2;+2/b27-21-,28-22-,29-21-,30-22-,35-31-,35-32-,36-33-,36-34-;

description: dataset for electrospray ionisation quadrupole detection (ESI Q Trap) MS (ESI+, [M]+, [C36H20N4Zn]+), m/z (%): 577/576/575/574/573/572 (13/35/27/56/37/100) [M]+. HRMS (ESI+, [M]+, [C36H20N4Zn]+): calcd 572.0979, found 572.0983.
DOI: 10.14272/cppjlxfxhycgon-udsygatosa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C36H20N4.Zn/c1-3-23-5-9-25(10-6-23)35-31-17-13-27(37-31)21-29-15-19-33(39-29)36(26-11-7-24(4-2)8-12-26)34-20-16-30(40-34)22-28-14-18-32(35)38-28;/h1-2,5-22H;/q-2;+2/b27-21-,28-22-,29-21-,30-22-,35-31-,35-32-,36-33-,36-34-;

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm] + pyridine-d5, ppm) δ = 10.23 (s, 2H), 9.38 (d, J = 4.5 Hz, 4H), 9.05 (d, J = 4.3 Hz, 4H), 8.23–8.21 (m, 4H), 7.92–7.90 (m, 4H), 3.34 (s, 2H). Impurities: 2.41 (unknown), 1.26 (grease), 0.08 (grease).
DOI: 10.14272/cppjlxfxhycgon-udsygatosa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C36H20N4.Zn/c1-3-23-5-9-25(10-6-23)35-31-17-13-27(37-31)21-29-15-19-33(39-29)36(26-11-7-24(4-2)8-12-26)34-20-16-30(40-34)22-28-14-18-32(35)38-28;/h1-2,5-22H;/q-2;+2/b27-21-,28-22-,29-21-,30-22-,35-31-,35-32-,36-33-,36-34-;

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/cppjlxfxhycgon-udsygatosa-n/chmo0000156
title: X-ray diffraction (XRD) ()
title: InChI=1S/C36H20N4.Zn/c1-3-23-5-9-25(10-6-23)35-31-17-13-27(37-31)21-29-15-19-33(39-29)36(26-11-7-24(4-2)8-12-26)34-20-16-30(40-34)22-28-14-18-32(35)38-28;/h1-2,5-22H;/q-2;+2/b27-21-,28-22-,29-21-,30-22-,35-31-,35-32-,36-33-,36-34-;

description: dataset for X-ray diffraction (XRD) Crystal Data for C41H25N5Zn (M =653.03 g/mol): monoclinic, space group P21/c (no. 14), a = 16.2510(7) Å, b = 8.5902(4) Å, c = 23.7078(13) Å, β = 107.775(3)°, V = 3151.6(3) Å3, Z = 4, T = 180 K, μ(GaKα) = 0.900 mm-1, Dcalc = 1.376 g/cm3, 34515 reflections measured (4.968° ≤ 2Θ ≤ 125.086°), 7550 unique (Rint = 0.0163, Rsigma = 0.0097) which were used in all calculations. The final R1 was 0.0286 (I &gt; 2σ(I)) and wR2 was 0.0834 (all data).
DOI: 10.14272/cppjlxfxhycgon-udsygatosa-n/chmo0000292
title: ultraviolet-visible spectrophotometry (UV-VIS) ()
title: InChI=1S/C36H20N4.Zn/c1-3-23-5-9-25(10-6-23)35-31-17-13-27(37-31)21-29-15-19-33(39-29)36(26-11-7-24(4-2)8-12-26)34-20-16-30(40-34)22-28-14-18-32(35)38-28;/h1-2,5-22H;/q-2;+2/b27-21-,28-22-,29-21-,30-22-,35-31-,35-32-,36-33-,36-34-;

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS) UV-VIS (absorption, CH2Cl2, 17 µM, 20 °C), λmax(log ε in M-1cm-1) = 413 (5.586), 541 (4.228), 575 (3.452) nm.
DOI: 10.14272/cppjlxfxhycgon-udsygatosa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C36H20N4.Zn/c1-3-23-5-9-25(10-6-23)35-31-17-13-27(37-31)21-29-15-19-33(39-29)36(26-11-7-24(4-2)8-12-26)34-20-16-30(40-34)22-28-14-18-32(35)38-28;/h1-2,5-22H;/q-2;+2/b27-21-,28-22-,29-21-,30-22-,35-31-,35-32-,36-33-,36-34-;

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm] + pyridine-d5, ppm) δ = 149.6 (Cq), 149.4 (Cq), 144.0 (Cq), 134.7 (+, 4C), 131.8 (+, 4C), 131.7 (+, 4C), 130.2 (+, 4C), 120.9 (Cq), 118.5 (Cq), 105.9 (+, 4C), 83.9 (Cq), 77.9. Missing signals: due to peak broadening and signal overlap, signals (9C) are missing. Impurities: 149.1–148.6 (pyridine-d5), 135.6–135.1 (pyridine-d5), 123.2–122.7 (pyridine-d5).
DOI: 10.14272/iqvwaofivprtdx-scbacqngsa-n.1
title: 5,15-bis(4-((trimethylsilyl)ethynyl)phenyl)porphyrin
title: InChI=1S/C42H38N4Si2/c1-47(2,3)25-23-29-7-11-31(12-8-29)41-37-19-15-33(43-37)27-35-17-21-39(45-35)42(32-13-9-30(10-14-32)24-26-48(4,5)6)40-22-18-36(46-40)28-34-16-20-38(41)44-34/h7-22,27-28,43,46H,1-6H3/b33-27-,34-28-,35-27-,36-28-,41-37-,41-38-,42-39-,42-40-

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/C42H38N4Si2/c1-47(2,3)25-23-29-7-11-31(12-8-29)41-37-19-15-33(43-37)27-35-17-21-39(45-35)42(32-13-9-30(10-14-32)24-26-48(4,5)6)40-22-18-36(46-40)28-34-16-20-38(41)44-34/h7-22,27-28,43,46H,1-6H3/b33-27-,34-28-,35-27-,36-28-,41-37-,41-38-,42-39-,42-40-, and canonical SMILES descriptor[cheminf_000007]: C[Si](C#Cc1ccc(cc1)/C/1=C/2\C=CC(=N2)/C=c\2/cc/c(=C(/C3=N/C(=C\c4[nH]c1cc4)/C=C3)\c1ccc(cc1)C#C[Si](C)(C)C)/[nH]2)(C)C, 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-31106 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: 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:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) CHMO:0000630 | infrared absorption spectroscopy (IR) CHMO:0000470 | mass spectrometry (MS) CHMO:0000292 | ultraviolet-visible spectrophotometry (UV-VIS) 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/iqvwaofivprtdx-scbacqngsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C42H38N4Si2/c1-47(2,3)25-23-29-7-11-31(12-8-29)41-37-19-15-33(43-37)27-35-17-21-39(45-35)42(32-13-9-30(10-14-32)24-26-48(4,5)6)40-22-18-36(46-40)28-34-16-20-38(41)44-34/h7-22,27-28,43,46H,1-6H3/b33-27-,34-28-,35-27-,36-28-,41-37-,41-38-,42-39-,42-40-

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 146.9 (Cq), 145.2 (Cq), 141.6 (Cq), 134.7 (+, 4C), 131.9 (+, 4C), 130.8 (+, 4C), 130.6 (+, 4C), 122.6 (Cq), 118.3 (Cq), 105.5 (+, 4C), 105.0 (Cq), 95.7 (Cq), 0.1 (+, 6C). Missing signals: due to peak broadening and signal overlap, signals (9C) are missing.
DOI: 10.14272/iqvwaofivprtdx-scbacqngsa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C42H38N4Si2/c1-47(2,3)25-23-29-7-11-31(12-8-29)41-37-19-15-33(43-37)27-35-17-21-39(45-35)42(32-13-9-30(10-14-32)24-26-48(4,5)6)40-22-18-36(46-40)28-34-16-20-38(41)44-34/h7-22,27-28,43,46H,1-6H3/b33-27-,34-28-,35-27-,36-28-,41-37-,41-38-,42-39-,42-40-

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3282, 2955, 2150, 1800, 1701, 1577, 1537, 1511, 1492, 1412, 1407, 1361, 1334, 1310, 1300, 1281, 1269, 1248, 1218, 1194, 1181, 1177, 1142, 1103, 1061, 1050, 1021, 987, 973, 953, 839, 802, 782, 758, 734, 713, 701, 688, 653, 561, 548, 521, 479, 432, 424 cm–1.
DOI: 10.14272/iqvwaofivprtdx-scbacqngsa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C42H38N4Si2/c1-47(2,3)25-23-29-7-11-31(12-8-29)41-37-19-15-33(43-37)27-35-17-21-39(45-35)42(32-13-9-30(10-14-32)24-26-48(4,5)6)40-22-18-36(46-40)28-34-16-20-38(41)44-34/h7-22,27-28,43,46H,1-6H3/b33-27-,34-28-,35-27-,36-28-,41-37-,41-38-,42-39-,42-40-

description: dataset for mass spectrometry (MS) MS (FAB, 3-NBA), m/z (%): 753 (50) [M + C8H4]+, 752 (38), 656 (56), 655 (100) [M + H]+, 654 (74) [M]+, 483 (41) [M – C16H23Si2], 154 (76), 137 (36), 136 (74). HRMS–FAB (m/z): [C42H38N428Si2 + H]+ calcd for 655.2708; found 655.2705.
DOI: 10.14272/iqvwaofivprtdx-scbacqngsa-n/chmo0000292
title: ultraviolet-visible spectrophotometry (UV-VIS) ()
title: InChI=1S/C42H38N4Si2/c1-47(2,3)25-23-29-7-11-31(12-8-29)41-37-19-15-33(43-37)27-35-17-21-39(45-35)42(32-13-9-30(10-14-32)24-26-48(4,5)6)40-22-18-36(46-40)28-34-16-20-38(41)44-34/h7-22,27-28,43,46H,1-6H3/b33-27-,34-28-,35-27-,36-28-,41-37-,41-38-,42-39-,42-40-

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS) UV-VIS (absorption, CH2Cl2, 21 µM, 20 °C), λmax(log ε in M-1cm-1) = 412 (5.585), 506 (4.229), 541 (3.939), 578 (3.752), 633 (3.454) nm.
DOI: 10.14272/iqvwaofivprtdx-scbacqngsa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C42H38N4Si2/c1-47(2,3)25-23-29-7-11-31(12-8-29)41-37-19-15-33(43-37)27-35-17-21-39(45-35)42(32-13-9-30(10-14-32)24-26-48(4,5)6)40-22-18-36(46-40)28-34-16-20-38(41)44-34/h7-22,27-28,43,46H,1-6H3/b33-27-,34-28-,35-27-,36-28-,41-37-,41-38-,42-39-,42-40-

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/iqvwaofivprtdx-scbacqngsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C42H38N4Si2/c1-47(2,3)25-23-29-7-11-31(12-8-29)41-37-19-15-33(43-37)27-35-17-21-39(45-35)42(32-13-9-30(10-14-32)24-26-48(4,5)6)40-22-18-36(46-40)28-34-16-20-38(41)44-34/h7-22,27-28,43,46H,1-6H3/b33-27-,34-28-,35-27-,36-28-,41-37-,41-38-,42-39-,42-40-

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 10.33 (s, 2H), 9.41 (d, J = 4.5 Hz, 4H), 9.06 (d, J = 4.5 Hz, 4H), 8.25–8.20 (m, 4H), 7.98–7.93 (m, 4H), 0.43–0.42 (m, 18H), -3.14 (s, 2H). Impurities: 1.55 (water), 0.09 (grease).
DOI: 10.14272/ziovrlnetczudp-ucggmddqsa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C42H36N4Si2.Zn/c1-47(2,3)25-23-29-7-11-31(12-8-29)41-37-19-15-33(43-37)27-35-17-21-39(45-35)42(32-13-9-30(10-14-32)24-26-48(4,5)6)40-22-18-36(46-40)28-34-16-20-38(41)44-34;/h7-22,27-28H,1-6H3;/q-2;+2/b33-27-,34-28-,35-27-,36-28-,41-37-,41-38-,42-39-,42-40-;

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2956, 2155, 1558, 1545, 1519, 1494, 1391, 1312, 1282, 1244, 1213, 1177, 1143, 1101, 1060, 987, 952, 857, 840, 806, 778, 771, 759, 730, 718, 697, 654, 603, 562, 530, 381 cm–1.
DOI: 10.14272/ziovrlnetczudp-ucggmddqsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C42H36N4Si2.Zn/c1-47(2,3)25-23-29-7-11-31(12-8-29)41-37-19-15-33(43-37)27-35-17-21-39(45-35)42(32-13-9-30(10-14-32)24-26-48(4,5)6)40-22-18-36(46-40)28-34-16-20-38(41)44-34;/h7-22,27-28H,1-6H3;/q-2;+2/b33-27-,34-28-,35-27-,36-28-,41-37-,41-38-,42-39-,42-40-;

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm] + pyridine-d5, ppm) δ = 149.6 (Cq), 149.4 (Cq), 143.7 (Cq), 134.6 (+, 4C), 131.8 (+, 4C), 131.6 (+, 4C), 130.0 (+, 4C), 122.7 (Cq), 121.9 (Cq), 118.6 (Cq), 105.9 (Cq), 105.3 (Cq), 95.1 (Cq), 0.1 (+, 6C). Missing signals: due to peak broadening and signal overlap, signals (11C) are missing. Impurities: 149.1–148.5 (pyridine-d5), 135.6–135.1 (pyridine-d5), 123.2–123.0 (pyridine-d5).
DOI: 10.14272/ziovrlnetczudp-ucggmddqsa-n.1
title: [5,15-Bis(4-methoxycarbonylphenyl)porphyrin]-zinc(II)
title: InChI=1S/C42H36N4Si2.Zn/c1-47(2,3)25-23-29-7-11-31(12-8-29)41-37-19-15-33(43-37)27-35-17-21-39(45-35)42(32-13-9-30(10-14-32)24-26-48(4,5)6)40-22-18-36(46-40)28-34-16-20-38(41)44-34;/h7-22,27-28H,1-6H3;/q-2;+2/b33-27-,34-28-,35-27-,36-28-,41-37-,41-38-,42-39-,42-40-;

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/C42H36N4Si2.Zn/c1-47(2,3)25-23-29-7-11-31(12-8-29)41-37-19-15-33(43-37)27-35-17-21-39(45-35)42(32-13-9-30(10-14-32)24-26-48(4,5)6)40-22-18-36(46-40)28-34-16-20-38(41)44-34;/h7-22,27-28H,1-6H3;/q-2;+2/b33-27-,34-28-,35-27-,36-28-,41-37-,41-38-,42-39-,42-40-;, and canonical SMILES descriptor[cheminf_000007]: C[Si](C#Cc1ccc(cc1)/C/1=C/2\C=CC(=N2)/C=c/2\n3[Zn]n4c1ccc4/C=C\1/C=CC(=N1)/C(=c\3/cc2)/c1ccc(cc1)C#C[Si](C)(C)C)(C)C, 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-31081 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: 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:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) CHMO:0000630 | infrared absorption spectroscopy (IR) CHMO:0000470 | mass spectrometry (MS) CHMO:0000292 | ultraviolet-visible spectrophotometry (UV-VIS) 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/ziovrlnetczudp-ucggmddqsa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C42H36N4Si2.Zn/c1-47(2,3)25-23-29-7-11-31(12-8-29)41-37-19-15-33(43-37)27-35-17-21-39(45-35)42(32-13-9-30(10-14-32)24-26-48(4,5)6)40-22-18-36(46-40)28-34-16-20-38(41)44-34;/h7-22,27-28H,1-6H3;/q-2;+2/b33-27-,34-28-,35-27-,36-28-,41-37-,41-38-,42-39-,42-40-;

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/ziovrlnetczudp-ucggmddqsa-n/chmo0000292
title: ultraviolet-visible spectrophotometry (UV-VIS) ()
title: InChI=1S/C42H36N4Si2.Zn/c1-47(2,3)25-23-29-7-11-31(12-8-29)41-37-19-15-33(43-37)27-35-17-21-39(45-35)42(32-13-9-30(10-14-32)24-26-48(4,5)6)40-22-18-36(46-40)28-34-16-20-38(41)44-34;/h7-22,27-28H,1-6H3;/q-2;+2/b33-27-,34-28-,35-27-,36-28-,41-37-,41-38-,42-39-,42-40-;

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS) UV-VIS (absorption, CH2Cl2, 16 µM, 20 °C), λmax(log ε in M-1cm-1) = 414 (5.565), 541 (4.244), 576 (3.561) nm.
DOI: 10.14272/ziovrlnetczudp-ucggmddqsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C42H36N4Si2.Zn/c1-47(2,3)25-23-29-7-11-31(12-8-29)41-37-19-15-33(43-37)27-35-17-21-39(45-35)42(32-13-9-30(10-14-32)24-26-48(4,5)6)40-22-18-36(46-40)28-34-16-20-38(41)44-34;/h7-22,27-28H,1-6H3;/q-2;+2/b33-27-,34-28-,35-27-,36-28-,41-37-,41-38-,42-39-,42-40-;

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm] + pyridine-d5, ppm) δ = 10.22 (s, 2H), 9.38 (d, J = 4.5 Hz, 4H), 9.03 (d, J = 4.5 Hz, 4H), 8.21–8.19 (m, 4H), 7.91–7.88 (m, 4H), 0.41 (s, 18H). Impurities: 1.92 (acetic acid), 1.25 (grease), 0.07 (grease).
DOI: 10.14272/ziovrlnetczudp-ucggmddqsa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C42H36N4Si2.Zn/c1-47(2,3)25-23-29-7-11-31(12-8-29)41-37-19-15-33(43-37)27-35-17-21-39(45-35)42(32-13-9-30(10-14-32)24-26-48(4,5)6)40-22-18-36(46-40)28-34-16-20-38(41)44-34;/h7-22,27-28H,1-6H3;/q-2;+2/b33-27-,34-28-,35-27-,36-28-,41-37-,41-38-,42-39-,42-40-;

description: dataset for mass spectrometry (MS) MS (FAB, 3-NBA), m/z (%): 720/719/718/717/716 (14/15/18/16/22) [M]+, 307 (17), 201 (14), 155 (25), 154 (100), 139 (14), 138 (33), 137 (55), 136 (87), 120 (15), 107 (29), 95 (16), 91 (26), 90 (24), 89 (30). HRMS–FAB (m/z): [C42H36N428Si264Zn]+ calcd for 716.1765; found 716.1765.
DOI: 10.5281/zenodo.8196533
title: Datasets for the openUC2 openOCT build on the Hackathon

description: More information can be found here https://github.com/openUC2/openUC2-Hackathon-openOCTRemote
DOI: 10.5281/zenodo.8196532
title: Datasets for the openUC2 openOCT build on the Hackathon

description: More information can be found here https://github.com/openUC2/openUC2-Hackathon-openOCTRemote
DOI: 10.18712/nsd-nsd3084-v1
title: Culture Utilization Survey 2021, additional sample of people with immigrant backgrounds

description: Statistics Norway (Statistisk sentralbyrå or SSB) has conducted sample surveys on the use of culture and mass media since 1967. Starting from 1991, SSB has conducted quarterly surveys on cultural offerings every third or fourth year. Until 2016, these surveys were carried out in conjunction with the Media Use Survey (Bye, 2017).

In 2021, the Culture Utilization Survey underwent changes and was conducted as a separate and independent study. The survey in 2021 used a mixed-mode design, allowing respondents to answer either through a self-administered web form or a telephone interview.

The purpose of the survey was to:

- Map the extent of people's use of cultural offerings in Norway, such as cinema, libraries, theaters, sports, and more.
- Determine the types of cultural activities that different population groups choose and have access to.
- Measure individual involvement in various cultural activities and study these aspects in the context of different cultural offerings.
- Compare data with previous years. This statistics serves as a valuable source of information for public authorities and others interested in participating in the planning and development of the country's cultural offerings.

For the survey, an additional sample of 3,000 individuals was drawn from immigrants and individuals with immigrant parents, aged 9 years and older.
DOI: 10.6084/m9.figshare.23807325
title: Unveiling the Role of Hydrate Shedding in Subsea Gas Transportation Accounting for Evolving Shear Strength

description: This data is used to simulate changes in pressure drop within a pipeline due to hydrate generation during the transportation of submarine natural gas pipelines. This data provides valuable insights for managing hydrate-related challenges in submarine pipeline operations, opening new avenues for the efficient utilization of hydrate reservoirs.
DOI: 10.5281/zenodo.7751317
title: Data on a citation context analysis focusing on natural sciences and social sciences and humanities

description: This dataset contains data on citation context analysis between natural sciences (NS) and social sciences and humanities (SSH). In particular, the data were created through manual coding of each citation between papers related to SDG7 (renewable energy) and SDG13 (climate change) and papers cited by them. This dataset consists of 9 files, associated with the article: Nishikawa, K. How and why are citations between disciplines made? A citation context analysis focusing on natural sciences and social sciences and humanities. Scientometrics (2023). https://doi.org/10.1007/s11192-023-04664-y The files are numbered as follows: 00 – README 01 – Data by citation pair for SDG7 (original) 02 – Data by citation pair for SDG13 (original) 03 – Data by mention location for SDG7 (original) 04 – Data by mention location for SDG13 (original) 05 – Data by citation pair for SDG7 (additional) 06 – Data by citation pair for SDG13 (additional) 07 – Data by mention location for SDG7 (additional) 08 – Data by mention location for SDG13 (additional) See README for more information.
description: {"references": ["Nishikawa, K. How and why are citations between disciplines made? A citation context analysis focusing on natural sciences and social sciences and humanities. Scientometrics (2023). https://doi.org/10.1007/s11192-023-04664-y"]}