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2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide

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2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide
SpectraBase Compound ID 9WTCOkxOL9t
InChI InChI=1S/C25H23ClN4O2S/c1-16-6-4-9-22(17(16)2)27-23(31)15-33-25-29-28-24(18-7-5-8-21(14-18)32-3)30(25)20-12-10-19(26)11-13-20/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey GCPUHJWQVWEFOS-UHFFFAOYSA-N
Mol Weight 479.0 g/mol
Molecular Formula C25H23ClN4O2S
Exact Mass 478.123025 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID roeet0rM3E
Name 2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dimethylphenyl)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/C25H23ClN4O2S/c1-16-6-4-9-22(17(16)2)27-23(31)15-33-25-29-28-24(18-7-5-8-21(14-18)32-3)30(25)20-12-10-19(26)11-13-20/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey GCPUHJWQVWEFOS-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11319
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: E06624; Labnumber: GRES-26337; SBI_ID: SBI-011322
Temperature 308 °C