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2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide

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2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
SpectraBase Compound ID DfkYjapXaZU
InChI InChI=1S/C29H31ClN4O3S/c1-18-15-24(25(37-6)16-23(18)30)31-26(35)17-38-28-33-32-27(19-7-9-20(10-8-19)29(2,3)4)34(28)21-11-13-22(36-5)14-12-21/h7-16H,17H2,1-6H3,(H,31,35)
InChIKey PBHSFLWNKLKUSU-UHFFFAOYSA-N
Mol Weight 551.11 g/mol
Molecular Formula C29H31ClN4O3S
Exact Mass 550.18054 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6xeJYheYSgQ
Name 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C29H31ClN4O3S/c1-18-15-24(25(37-6)16-23(18)30)31-26(35)17-38-28-33-32-27(19-7-9-20(10-8-19)29(2,3)4)34(28)21-11-13-22(36-5)14-12-21/h7-16H,17H2,1-6H3,(H,31,35)
InChIKey PBHSFLWNKLKUSU-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17416
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: D25597; Labnumber: GRES-04682; SBI_ID: SBI-017419
Temperature 308 °C