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

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2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide
SpectraBase Compound ID 8BNS9RHi9kj
InChI InChI=1S/C25H23ClN4OS/c1-16-5-12-21(13-6-16)30-24(19-8-10-20(26)11-9-19)28-29-25(30)32-15-23(31)27-22-14-17(2)4-7-18(22)3/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey VJVDPTPWUBWILM-UHFFFAOYSA-N
Mol Weight 463.0 g/mol
Molecular Formula C25H23ClN4OS
Exact Mass 462.12811 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5BvdvnUsUsp
Name 2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-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/C25H23ClN4OS/c1-16-5-12-21(13-6-16)30-24(19-8-10-20(26)11-9-19)28-29-25(30)32-15-23(31)27-22-14-17(2)4-7-18(22)3/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey VJVDPTPWUBWILM-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25627
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: D00692; Labnumber: UGRES-15125; SBI_ID: SBI-025631
Temperature 306 °C