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5-(3-methyl-1H-pyrazol-5-yl)-4-{[(E)-(4-propoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID Da4GNxK9iQD
InChI InChI=1S/C16H18N6OS/c1-3-8-23-13-6-4-12(5-7-13)10-17-22-15(20-21-16(22)24)14-9-11(2)18-19-14/h4-7,9-10H,3,8H2,1-2H3,(H,18,19)(H,21,24)/b17-10+
InChIKey JFYICHXHUBQYER-LICLKQGHSA-N
Mol Weight 342.42 g/mol
Molecular Formula C16H18N6OS
Exact Mass 342.12628 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gh3Y1Ugcv2r
Name 5-(3-methyl-1H-pyrazol-5-yl)-4-{[(E)-(4-propoxyphenyl)methylidene]amino}-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/C16H18N6OS/c1-3-8-23-13-6-4-12(5-7-13)10-17-22-15(20-21-16(22)24)14-9-11(2)18-19-14/h4-7,9-10H,3,8H2,1-2H3,(H,18,19)(H,21,24)/b17-10+
InChIKey JFYICHXHUBQYER-LICLKQGHSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4000
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: E00466; Labnumber: GRES-06366; SBI_ID: SBI-004002
Synonyms 5-(3-methyl-1H-pyrazol-5-yl)-4-{[(E)-(4-propoxyphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide5-(3-methyl-1H-pyrazol-5-yl)-4-{[(4-propoxyphenyl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Temperature 318 °C