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2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
SpectraBase Compound ID HeMXrVQ8Z9D
InChI InChI=1S/C21H22N4O3S/c1-3-13-25-19(14-28-18-7-5-4-6-8-18)23-24-21(25)29-15-20(26)22-16-9-11-17(27-2)12-10-16/h3-12H,1,13-15H2,2H3,(H,22,26)
InChIKey NPLKNSOMHYULCW-UHFFFAOYSA-N
Mol Weight 410.49 g/mol
Molecular Formula C21H22N4O3S
Exact Mass 410.141262 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9gGcH2qi9Dh
Name 2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)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/C21H22N4O3S/c1-3-13-25-19(14-28-18-7-5-4-6-8-18)23-24-21(25)29-15-20(26)22-16-9-11-17(27-2)12-10-16/h3-12H,1,13-15H2,2H3,(H,22,26)
InChIKey NPLKNSOMHYULCW-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4402
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/8119424; UBI_ID: UBI-004403
Temperature 308 °C