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2-{[5-[(4-tert-butylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-isopropyl-N-phenylacetamide
SpectraBase Compound ID JQc1ikFVMvP
InChI InChI=1S/C31H36N4O2S/c1-22(2)34(25-13-8-7-9-14-25)29(36)21-38-30-33-32-28(35(30)27-15-11-10-12-23(27)3)20-37-26-18-16-24(17-19-26)31(4,5)6/h7-19,22H,20-21H2,1-6H3
InChIKey SMRBGZNCGYIXKC-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

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SpectraBase Spectrum ID J8JzBExWIv2
Name 2-{[5-[(4-tert-butylphenoxy)methyl]-4-(2-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(25-13-8-7-9-14-25)29(36)21-38-30-33-32-28(35(30)27-15-11-10-12-23(27)3)20-37-26-18-16-24(17-19-26)31(4,5)6/h7-19,22H,20-21H2,1-6H3
InChIKey SMRBGZNCGYIXKC-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6432
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/11252612; Labnumber: 1317; IOH_ID: IOH-006433