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4-methyl-3-[(3-methylbenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazole
SpectraBase Compound ID 7gjtv2j7O6e
InChI InChI=1S/C17H17N3S/c1-13-7-6-8-14(11-13)12-21-17-19-18-16(20(17)2)15-9-4-3-5-10-15/h3-11H,12H2,1-2H3
InChIKey IGZXNMQXDOYAIT-UHFFFAOYSA-N
Mol Weight 295.4 g/mol
Molecular Formula C17H17N3S
Exact Mass 295.114319 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID yaXmvQMXPj
Name 4-methyl-3-[(3-methylbenzyl)sulfanyl]-5-phenyl-4H-1,2,4-triazole
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/C17H17N3S/c1-13-7-6-8-14(11-13)12-21-17-19-18-16(20(17)2)15-9-4-3-5-10-15/h3-11H,12H2,1-2H3
InChIKey IGZXNMQXDOYAIT-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4823
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: E08201; Labnumber: GRES-36778; SBI_ID: SBI-004825
Synonyms 3-methylbenzyl 4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl sulfide
Temperature 315 °C