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2-{[5-[(4-tert-butylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
SpectraBase Compound ID 7NDdVL87JD
InChI InChI=1S/C34H34N4O3S/c1-24-10-16-27(17-11-24)38-31(22-40-28-18-12-25(13-19-28)34(2,3)4)36-37-33(38)42-23-32(39)35-26-14-20-30(21-15-26)41-29-8-6-5-7-9-29/h5-21H,22-23H2,1-4H3,(H,35,39)
InChIKey KXKJQVDKAKFLHD-UHFFFAOYSA-N
Mol Weight 578.7 g/mol
Molecular Formula C34H34N4O3S
Exact Mass 578.235162 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2G2cfBZNCIp
Name 2-{[5-[(4-tert-butylphenoxy)methyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenoxyphenyl)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/C34H34N4O3S/c1-24-10-16-27(17-11-24)38-31(22-40-28-18-12-25(13-19-28)34(2,3)4)36-37-33(38)42-23-32(39)35-26-14-20-30(21-15-26)41-29-8-6-5-7-9-29/h5-21H,22-23H2,1-4H3,(H,35,39)
InChIKey KXKJQVDKAKFLHD-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5436
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/11221565; Labnumber: 0507; IOH_ID: IOH-005437