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

*Links on SpectraBase are not permalinks.
N-(4-chlorophenyl)-2-{[4-(2-phenylethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID DIeJxHndIWF
InChI InChI=1S/C27H27ClN4O4S/c1-34-22-15-19(16-23(35-2)25(22)36-3)26-30-31-27(32(26)14-13-18-7-5-4-6-8-18)37-17-24(33)29-21-11-9-20(28)10-12-21/h4-12,15-16H,13-14,17H2,1-3H3,(H,29,33)
InChIKey XFLLYLLCWWCZMU-UHFFFAOYSA-N
Mol Weight 539.05 g/mol
Molecular Formula C27H27ClN4O4S
Exact Mass 538.144154 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 BCg3qPoYetc
Name N-(4-chlorophenyl)-2-{[4-(2-phenylethyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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/C27H27ClN4O4S/c1-34-22-15-19(16-23(35-2)25(22)36-3)26-30-31-27(32(26)14-13-18-7-5-4-6-8-18)37-17-24(33)29-21-11-9-20(28)10-12-21/h4-12,15-16H,13-14,17H2,1-3H3,(H,29,33)
InChIKey XFLLYLLCWWCZMU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29192
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: D91258; Labnumber: VGU-0022774; SBI_ID: SBI-029196
Temperature 318 °C