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4-{[(E)-(3-methoxyphenyl)methylidene]amino}-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID EE0yUFOJnbD
InChI InChI=1S/C14H14N6OS/c1-9-6-12(17-16-9)13-18-19-14(22)20(13)15-8-10-4-3-5-11(7-10)21-2/h3-8H,1-2H3,(H,16,17)(H,19,22)/b15-8+
InChIKey DFOZGTXMYWQLLJ-OVCLIPMQSA-N
Mol Weight 314.37 g/mol
Molecular Formula C14H14N6OS
Exact Mass 314.09498 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H3GpLLLc3N3
Name 4-{[(E)-(3-methoxyphenyl)methylidene]amino}-5-(3-methyl-1H-pyrazol-5-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/C14H14N6OS/c1-9-6-12(17-16-9)13-18-19-14(22)20(13)15-8-10-4-3-5-11(7-10)21-2/h3-8H,1-2H3,(H,16,17)(H,19,22)/b15-8+
InChIKey DFOZGTXMYWQLLJ-OVCLIPMQSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10497
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: E00522; Labnumber: GRES-10453; SBI_ID: SBI-010500
Synonyms 4-{[(E)-(3-methoxyphenyl)methylidene]amino}-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(3-methoxyphenyl)methylidene]amino}-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C