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4-{[(E)-1H-indol-3-ylmethylidene]amino}-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID KAjC1TeBVy2
InChI InChI=1S/C17H15N7S/c25-17-23-22-16(15-12-5-3-7-14(12)20-21-15)24(17)19-9-10-8-18-13-6-2-1-4-11(10)13/h1-2,4,6,8-9,18H,3,5,7H2,(H,20,21)(H,23,25)/b19-9+
InChIKey MBSUVFLEGKOAJI-DJKKODMXSA-N
Mol Weight 349.42 g/mol
Molecular Formula C17H15N7S
Exact Mass 349.110965 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DJxWDuUeEkY
Name 4-{[(E)-1H-indol-3-ylmethylidene]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/C17H15N7S/c25-17-23-22-16(15-12-5-3-7-14(12)20-21-15)24(17)19-9-10-8-18-13-6-2-1-4-11(10)13/h1-2,4,6,8-9,18H,3,5,7H2,(H,20,21)(H,23,25)/b19-9+
InChIKey MBSUVFLEGKOAJI-DJKKODMXSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10491
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: E00509; Labnumber: GRES-09425; SBI_ID: SBI-010494
Synonyms 4-{[(E)-1H-indol-3-ylmethylidene]amino}-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[1H-indol-3-ylmethylidene]amino}-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C