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

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2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)acetamide
SpectraBase Compound ID 2Q7s0rzK9fY
InChI InChI=1S/C25H23ClN4O3S/c1-16-4-6-17(7-5-16)24-28-29-25(30(24)20-10-8-18(26)9-11-20)34-15-23(31)27-19-12-21(32-2)14-22(13-19)33-3/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey MURXHFLRKQJTNW-UHFFFAOYSA-N
Mol Weight 495.0 g/mol
Molecular Formula C25H23ClN4O3S
Exact Mass 494.117939 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GhYf1gj92LJ
Name 2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)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/C25H23ClN4O3S/c1-16-4-6-17(7-5-16)24-28-29-25(30(24)20-10-8-18(26)9-11-20)34-15-23(31)27-19-12-21(32-2)14-22(13-19)33-3/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey MURXHFLRKQJTNW-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4348
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: D98860; Labnumber: GRES-27463; SBI_ID: SBI-004350
Temperature 306 °C