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2-{[5-[(4-tert-butylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
SpectraBase Compound ID 6QqxrUoxVAQ
InChI InChI=1S/C29H32N4O2S/c1-20-9-13-24(14-10-20)33-26(18-35-25-15-11-22(12-16-25)29(3,4)5)31-32-28(33)36-19-27(34)30-23-8-6-7-21(2)17-23/h6-17H,18-19H2,1-5H3,(H,30,34)
InChIKey HNAHEEOLCIQWGR-UHFFFAOYSA-N
Mol Weight 500.7 g/mol
Molecular Formula C29H32N4O2S
Exact Mass 500.224597 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JB7IgZ8HViD
Name 2-{[5-[(4-tert-butylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-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/C29H32N4O2S/c1-20-9-13-24(14-10-20)33-26(18-35-25-15-11-22(12-16-25)29(3,4)5)31-32-28(33)36-19-27(34)30-23-8-6-7-21(2)17-23/h6-17H,18-19H2,1-5H3,(H,30,34)
InChIKey HNAHEEOLCIQWGR-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5625
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/11221560; Labnumber: 0502; IOH_ID: IOH-005626