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2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)acetamide
SpectraBase Compound ID I0SAvQm9UWo
InChI InChI=1S/C29H32N4O3S/c1-19-7-13-23(14-8-19)33-27(20-9-11-21(12-10-20)29(2,3)4)31-32-28(33)37-18-26(34)30-22-15-24(35-5)17-25(16-22)36-6/h7-17H,18H2,1-6H3,(H,30,34)
InChIKey SMKFYRXYVMOXAI-UHFFFAOYSA-N
Mol Weight 516.7 g/mol
Molecular Formula C29H32N4O3S
Exact Mass 516.219512 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ABpadq52gFU
Name 2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)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/C29H32N4O3S/c1-19-7-13-23(14-8-19)33-27(20-9-11-21(12-10-20)29(2,3)4)31-32-28(33)37-18-26(34)30-22-15-24(35-5)17-25(16-22)36-6/h7-17H,18H2,1-6H3,(H,30,34)
InChIKey SMKFYRXYVMOXAI-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4342
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: D98848; Labnumber: GRES-27269; SBI_ID: SBI-004344
Temperature 306 °C