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

*Links on SpectraBase are not permalinks.

2-{[4-allyl-5-(4-toluidinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone

View entire compound with spectra: 1 NMR

2-{[4-allyl-5-(4-toluidinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
SpectraBase Compound ID CvrB4JBp3wI
InChI InChI=1S/C21H22N4OS/c1-3-13-25-20(14-22-18-11-9-16(2)10-12-18)23-24-21(25)27-15-19(26)17-7-5-4-6-8-17/h3-12,22H,1,13-15H2,2H3
InChIKey DTIVARGBHHGTBI-UHFFFAOYSA-N
Mol Weight 378.49 g/mol
Molecular Formula C21H22N4OS
Exact Mass 378.151433 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 L5CHLNDYSDW
Name 2-{[4-allyl-5-(4-toluidinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
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/C21H22N4OS/c1-3-13-25-20(14-22-18-11-9-16(2)10-12-18)23-24-21(25)27-15-19(26)17-7-5-4-6-8-17/h3-12,22H,1,13-15H2,2H3
InChIKey DTIVARGBHHGTBI-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17251
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/9048888; UBI_ID: UBI-017254
Temperature 313 °C