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2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)acetamide
SpectraBase Compound ID 7HUvU8HmtSj
InChI InChI=1S/C28H29ClN4O2S/c1-19-23(29)11-8-12-24(19)30-26(34)18-36-27-32-31-25(33(27)21-9-6-5-7-10-21)17-35-22-15-13-20(14-16-22)28(2,3)4/h5-16H,17-18H2,1-4H3,(H,30,34)
InChIKey XPNDUGMQMVZBPR-UHFFFAOYSA-N
Mol Weight 521.08 g/mol
Molecular Formula C28H29ClN4O2S
Exact Mass 520.169975 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IujjiDDOw70
Name 2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chloro-2-methylphenyl)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/C28H29ClN4O2S/c1-19-23(29)11-8-12-24(19)30-26(34)18-36-27-32-31-25(33(27)21-9-6-5-7-10-21)17-35-22-15-13-20(14-16-22)28(2,3)4/h5-16H,17-18H2,1-4H3,(H,30,34)
InChIKey XPNDUGMQMVZBPR-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6426
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/11252606; Labnumber: 1311; IOH_ID: IOH-006427