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4-{[(E)-(2,4-dichlorophenyl)methylidene]amino}-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID KrzgAGp2RtL
InChI InChI=1S/C15H12Cl2N6S/c16-9-5-4-8(11(17)6-9)7-18-23-14(21-22-15(23)24)13-10-2-1-3-12(10)19-20-13/h4-7H,1-3H2,(H,19,20)(H,22,24)/b18-7+
InChIKey FVNBBCZSWFKSGW-CNHKJKLMSA-N
Mol Weight 379.27 g/mol
Molecular Formula C15H12Cl2N6S
Exact Mass 378.022121 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L311BbD1UFz
Name 4-{[(E)-(2,4-dichlorophenyl)methylidene]amino}-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C15H12Cl2N6S/c16-9-5-4-8(11(17)6-9)7-18-23-14(21-22-15(23)24)13-10-2-1-3-12(10)19-20-13/h4-7H,1-3H2,(H,19,20)(H,22,24)/b18-7+
InChIKey FVNBBCZSWFKSGW-CNHKJKLMSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10550
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: E00619; Labnumber: GRES-17788; SBI_ID: SBI-010553
Synonyms 4-{[(E)-(2,4-dichlorophenyl)methylidene]amino}-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(2,4-dichlorophenyl)methylidene]amino}-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C