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4-benzyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID CQPUaqOxqML
InChI InChI=1S/C14H15N5S/c1-11-7-8-18(17-11)10-13-15-16-14(20)19(13)9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,16,20)
InChIKey YJFIUXGJBYLYSK-UHFFFAOYSA-N
Mol Weight 285.37 g/mol
Molecular Formula C14H15N5S
Exact Mass 285.104817 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G2uzJOE096m
Name 4-benzyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-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/C14H15N5S/c1-11-7-8-18(17-11)10-13-15-16-14(20)19(13)9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,16,20)
InChIKey YJFIUXGJBYLYSK-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14848
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: UZI/1020412; UBI_ID: UBI-014851
Synonyms 4-benzyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 308 °C