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

*Links on SpectraBase are not permalinks.
2-{[4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
SpectraBase Compound ID CSGtDJ5Z4do
InChI InChI=1S/C25H21ClN4O2S/c1-2-15-30-24(18-7-6-8-19(26)16-18)28-29-25(30)33-17-23(31)27-20-11-13-22(14-12-20)32-21-9-4-3-5-10-21/h2-14,16H,1,15,17H2,(H,27,31)
InChIKey AVKWHCPKOWKJBJ-UHFFFAOYSA-N
Mol Weight 476.98 g/mol
Molecular Formula C25H21ClN4O2S
Exact Mass 476.107375 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 F2v9kpaTu7S
Name 2-{[4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)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/C25H21ClN4O2S/c1-2-15-30-24(18-7-6-8-19(26)16-18)28-29-25(30)33-17-23(31)27-20-11-13-22(14-12-20)32-21-9-4-3-5-10-21/h2-14,16H,1,15,17H2,(H,27,31)
InChIKey AVKWHCPKOWKJBJ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11426
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: E06317; Labnumber: GRES-20419; SBI_ID: SBI-011429
Temperature 308 °C