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

*Links on SpectraBase are not permalinks.
2-{[5-[(4-tert-butylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-isopropyl-N-phenylacetamide
SpectraBase Compound ID 52ymUiy8AYi
InChI InChI=1S/C31H36N4O2S/c1-22(2)34(25-10-8-7-9-11-25)29(36)21-38-30-33-32-28(35(30)26-16-12-23(3)13-17-26)20-37-27-18-14-24(15-19-27)31(4,5)6/h7-19,22H,20-21H2,1-6H3
InChIKey PLOYBYYVPWRXMR-UHFFFAOYSA-N
Mol Weight 528.7 g/mol
Molecular Formula C31H36N4O2S
Exact Mass 528.255898 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 BqbrklmqfKA
Name 2-{[5-[(4-tert-butylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-isopropyl-N-phenylacetamide
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/C31H36N4O2S/c1-22(2)34(25-10-8-7-9-11-25)29(36)21-38-30-33-32-28(35(30)26-16-12-23(3)13-17-26)20-37-27-18-14-24(15-19-27)31(4,5)6/h7-19,22H,20-21H2,1-6H3
InChIKey PLOYBYYVPWRXMR-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5442
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: NMR/11221574; Labnumber: 0516; IOH_ID: IOH-005443