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2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
SpectraBase Compound ID B72RIkV4yE
InChI InChI=1S/C20H20N4O2S/c1-2-13-24-18(14-26-17-11-7-4-8-12-17)22-23-20(24)27-15-19(25)21-16-9-5-3-6-10-16/h2-12H,1,13-15H2,(H,21,25)
InChIKey XATXMAAGHQLMIN-UHFFFAOYSA-N
Mol Weight 380.47 g/mol
Molecular Formula C20H20N4O2S
Exact Mass 380.130697 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hr0wNcGYgpM
Name 2-{[4-allyl-5-(phenoxymethyl)-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/C20H20N4O2S/c1-2-13-24-18(14-26-17-11-7-4-8-12-17)22-23-20(24)27-15-19(25)21-16-9-5-3-6-10-16/h2-12H,1,13-15H2,(H,21,25)
InChIKey XATXMAAGHQLMIN-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3682
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/8102590; UBI_ID: UBI-003683
Temperature 308 °C