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N-(4-chloro-2-methylphenyl)-2-{[4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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N-(4-chloro-2-methylphenyl)-2-{[4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID FiIOXluJMig
InChI InChI=1S/C25H23ClN4O2S/c1-3-32-21-12-10-20(11-13-21)30-24(18-7-5-4-6-8-18)28-29-25(30)33-16-23(31)27-22-14-9-19(26)15-17(22)2/h4-15H,3,16H2,1-2H3,(H,27,31)
InChIKey KCRAAAVDWWRWMW-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 KKbPXgTFmLr
Name N-(4-chloro-2-methylphenyl)-2-{[4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}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/c1-3-32-21-12-10-20(11-13-21)30-24(18-7-5-4-6-8-18)28-29-25(30)33-16-23(31)27-22-14-9-19(26)15-17(22)2/h4-15H,3,16H2,1-2H3,(H,27,31)
InChIKey KCRAAAVDWWRWMW-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14331
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: D98208; Labnumber: GRES-17351; SBI_ID: SBI-014334
Temperature 308 °C