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-mesitylacetamide
SpectraBase Compound ID InkepFNSOkz
InChI InChI=1S/C31H36N4O2S/c1-20-8-12-25(13-9-20)35-27(18-37-26-14-10-24(11-15-26)31(5,6)7)33-34-30(35)38-19-28(36)32-29-22(3)16-21(2)17-23(29)4/h8-17H,18-19H2,1-7H3,(H,32,36)
InChIKey BMSATKMVTVPPEQ-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 Iovn3ZNj6kG
Name 2-{[5-[(4-tert-butylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-mesitylacetamide
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/c1-20-8-12-25(13-9-20)35-27(18-37-26-14-10-24(11-15-26)31(5,6)7)33-34-30(35)38-19-28(36)32-29-22(3)16-21(2)17-23(29)4/h8-17H,18-19H2,1-7H3,(H,32,36)
InChIKey BMSATKMVTVPPEQ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6430
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent ACETONE-d6
Source File Reference VendorID: NMR/11252610; Labnumber: 1315; IOH_ID: IOH-006431