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4-{[(E)-(2,3-dichlorophenyl)methylidene]amino}-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 56VuQGedYjN
InChI InChI=1S/C15H12Cl2N6S/c16-10-5-1-3-8(12(10)17)7-18-23-14(21-22-15(23)24)13-9-4-2-6-11(9)19-20-13/h1,3,5,7H,2,4,6H2,(H,19,20)(H,22,24)/b18-7+
InChIKey OVRWLQUUWDJLBY-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 6CMd7zE4oRq
Name 4-{[(E)-(2,3-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/c16-10-5-1-3-8(12(10)17)7-18-23-14(21-22-15(23)24)13-9-4-2-6-11(9)19-20-13/h1,3,5,7H,2,4,6H2,(H,19,20)(H,22,24)/b18-7+
InChIKey OVRWLQUUWDJLBY-CNHKJKLMSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10505
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: E00538; Labnumber: GRES-11695; SBI_ID: SBI-010508
Synonyms 4-{[(E)-(2,3-dichlorophenyl)methylidene]amino}-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(2,3-dichlorophenyl)methylidene]amino}-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C