For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-{[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
SpectraBase Compound ID AoUA0tW9sjE
InChI InChI=1S/C21H22N4O3S/c1-4-13-25-20(15-5-9-17(27-2)10-6-15)23-24-21(25)29-14-19(26)22-16-7-11-18(28-3)12-8-16/h4-12H,1,13-14H2,2-3H3,(H,22,26)
InChIKey MZDWOYRSIQSEMV-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1SoyPtIaT85
Name 2-{[4-allyl-5-(4-methoxyphenyl)-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/c1-4-13-25-20(15-5-9-17(27-2)10-6-15)23-24-21(25)29-14-19(26)22-16-7-11-18(28-3)12-8-16/h4-12H,1,13-14H2,2-3H3,(H,22,26)
InChIKey MZDWOYRSIQSEMV-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4346
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: D98855; Labnumber: GRES-27330; SBI_ID: SBI-004348
Temperature 306 °C