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4-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID K0PQTAdjZUa
InChI InChI=1S/C17H19N7S/c1-23(2)12-8-6-11(7-9-12)10-18-24-16(21-22-17(24)25)15-13-4-3-5-14(13)19-20-15/h6-10H,3-5H2,1-2H3,(H,19,20)(H,22,25)/b18-10+
InChIKey WDKYVZHSAHLVCT-VCHYOVAHSA-N
Mol Weight 353.45 g/mol
Molecular Formula C17H19N7S
Exact Mass 353.142265 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7xBvW28aSa2
Name 4-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl hydrosulfide
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/C17H19N7S/c1-23(2)12-8-6-11(7-9-12)10-18-24-16(21-22-17(24)25)15-13-4-3-5-14(13)19-20-15/h6-10H,3-5H2,1-2H3,(H,19,20)(H,22,25)/b18-10+
InChIKey WDKYVZHSAHLVCT-VCHYOVAHSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3999
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: E00463; Labnumber: GRES-06259; SBI_ID: SBI-004001
Synonyms 4-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol4-({[4-(dimethylamino)phenyl]methylidene}amino)-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 318 °C