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N-(4-chloro-2-methylphenyl)-2-{[4-(4-methoxyphenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID GhUSo86IXkR
InChI InChI=1S/C25H23ClN4O2S/c1-16-5-4-6-18(13-16)24-28-29-25(30(24)20-8-10-21(32-3)11-9-20)33-15-23(31)27-22-12-7-19(26)14-17(22)2/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey WBCQCACNOFDYIC-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 DWOzzBcrPdx
Name N-(4-chloro-2-methylphenyl)-2-{[4-(4-methoxyphenyl)-5-(3-methylphenyl)-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/c1-16-5-4-6-18(13-16)24-28-29-25(30(24)20-8-10-21(32-3)11-9-20)33-15-23(31)27-22-12-7-19(26)14-17(22)2/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey WBCQCACNOFDYIC-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11220
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: E06501; Labnumber: GRES-23610; SBI_ID: SBI-011223
Temperature 315 °C