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2-{[4-allyl-5-(anilinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID AzZSzHQnMKo
InChI InChI=1S/C14H17N5OS/c1-2-8-19-13(9-16-11-6-4-3-5-7-11)17-18-14(19)21-10-12(15)20/h2-7,16H,1,8-10H2,(H2,15,20)
InChIKey PHVOJVUUVAHJCJ-UHFFFAOYSA-N
Mol Weight 303.38 g/mol
Molecular Formula C14H17N5OS
Exact Mass 303.115381 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HJPjPCtnR1T
Name 2-{[4-allyl-5-(anilinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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/C14H17N5OS/c1-2-8-19-13(9-16-11-6-4-3-5-7-11)17-18-14(19)21-10-12(15)20/h2-7,16H,1,8-10H2,(H2,15,20)
InChIKey PHVOJVUUVAHJCJ-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4981
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/8136506; UBI_ID: UBI-004982
Temperature 308 °C