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2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)acetamide
SpectraBase Compound ID BMIIGz59xTg
InChI InChI=1S/C24H20Cl2N4O2S/c1-15-7-12-21(32-2)20(13-15)27-22(31)14-33-24-29-28-23(18-5-3-4-6-19(18)26)30(24)17-10-8-16(25)9-11-17/h3-13H,14H2,1-2H3,(H,27,31)
InChIKey AZQPEOHYHRWESX-UHFFFAOYSA-N
Mol Weight 499.42 g/mol
Molecular Formula C24H20Cl2N4O2S
Exact Mass 498.068402 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5UnXovV4NxR
Name 2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxy-5-methylphenyl)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/C24H20Cl2N4O2S/c1-15-7-12-21(32-2)20(13-15)27-22(31)14-33-24-29-28-23(18-5-3-4-6-19(18)26)30(24)17-10-8-16(25)9-11-17/h3-13H,14H2,1-2H3,(H,27,31)
InChIKey AZQPEOHYHRWESX-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4403
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: D98954; Labnumber: GRES-28970; SBI_ID: SBI-004405
Temperature 308 °C