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4-{[(E)-(4-isopropylphenyl)methylidene]amino}-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID JrVodbEHn5j
InChI InChI=1S/C16H18N6S/c1-10(2)13-6-4-12(5-7-13)9-17-22-15(20-21-16(22)23)14-8-11(3)18-19-14/h4-10H,1-3H3,(H,18,19)(H,21,23)/b17-9+
InChIKey DQRGQUPSCNUVCX-RQZCQDPDSA-N
Mol Weight 326.42 g/mol
Molecular Formula C16H18N6S
Exact Mass 326.131366 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DrHl9K4cSQU
Name 4-{[(E)-(4-isopropylphenyl)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/C16H18N6S/c1-10(2)13-6-4-12(5-7-13)9-17-22-15(20-21-16(22)23)14-8-11(3)18-19-14/h4-10H,1-3H3,(H,18,19)(H,21,23)/b17-9+
InChIKey DQRGQUPSCNUVCX-RQZCQDPDSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10514
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: E00557; Labnumber: GRES-12949; SBI_ID: SBI-010517
Synonyms 4-{[(E)-(4-isopropylphenyl)methylidene]amino}-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[(4-isopropylphenyl)methylidene]amino}-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C