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2-{[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)acetamide
SpectraBase Compound ID WXyb1kVugp
InChI InChI=1S/C25H23ClN4O3S/c1-16-8-10-18(11-9-16)30-24(21-6-4-5-7-22(21)26)28-29-25(30)34-15-23(31)27-17-12-19(32-2)14-20(13-17)33-3/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey BKHQHZAVYLVJTF-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 EsUEV50kO3d
Name 2-{[5-(2-chlorophenyl)-4-(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/c1-16-8-10-18(11-9-16)30-24(21-6-4-5-7-22(21)26)28-29-25(30)34-15-23(31)27-17-12-19(32-2)14-20(13-17)33-3/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey BKHQHZAVYLVJTF-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4394
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: D98936; Labnumber: GRES-28754; SBI_ID: SBI-004396
Temperature 306 °C