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2-{[4-allyl-5-(anilinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
SpectraBase Compound ID 4uJG3wrAdhJ
InChI InChI=1S/C20H21N5OS/c1-2-13-25-18(14-21-16-9-5-3-6-10-16)23-24-20(25)27-15-19(26)22-17-11-7-4-8-12-17/h2-12,21H,1,13-15H2,(H,22,26)
InChIKey WHULUXYAMBPYQE-UHFFFAOYSA-N
Mol Weight 379.48 g/mol
Molecular Formula C20H21N5OS
Exact Mass 379.146681 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8UROoEnVmH2
Name 2-{[4-allyl-5-(anilinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
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/C20H21N5OS/c1-2-13-25-18(14-21-16-9-5-3-6-10-16)23-24-20(25)27-15-19(26)22-17-11-7-4-8-12-17/h2-12,21H,1,13-15H2,(H,22,26)
InChIKey WHULUXYAMBPYQE-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5695
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/8168040; UBI_ID: UBI-005697
Temperature 308 °C