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2-{[4-allyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
SpectraBase Compound ID 3TcPdVl5Mx
InChI InChI=1S/C21H22N4OS/c1-4-12-25-20(17-7-5-6-16(3)13-17)23-24-21(25)27-14-19(26)22-18-10-8-15(2)9-11-18/h4-11,13H,1,12,14H2,2-3H3,(H,22,26)
InChIKey RDIWXDJNFGDRCS-UHFFFAOYSA-N
Mol Weight 378.49 g/mol
Molecular Formula C21H22N4OS
Exact Mass 378.151433 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1xCGhD7ZGCG
Name 2-{[4-allyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylphenyl)acetamide
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/C21H22N4OS/c1-4-12-25-20(17-7-5-6-16(3)13-17)23-24-21(25)27-14-19(26)22-18-10-8-15(2)9-11-18/h4-11,13H,1,12,14H2,2-3H3,(H,22,26)
InChIKey RDIWXDJNFGDRCS-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11337
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: E06645; Labnumber: GRES-26698; SBI_ID: SBI-011340
Temperature 308 °C