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2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide

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2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
SpectraBase Compound ID 90chExNsbnf
InChI InChI=1S/C25H23ClN4OS/c1-16-7-9-19(10-8-16)24-28-29-25(30(24)21-13-11-20(26)12-14-21)32-15-22(31)27-23-17(2)5-4-6-18(23)3/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey IVALWAMLEWBFED-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 LmoxKZ5GcUX
Name 2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-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/c1-16-7-9-19(10-8-16)24-28-29-25(30(24)21-13-11-20(26)12-14-21)32-15-22(31)27-23-17(2)5-4-6-18(23)3/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey IVALWAMLEWBFED-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4018
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: D98412; Labnumber: GRES-20626; SBI_ID: SBI-004020
Temperature 308 °C