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methyl 4-[({[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
SpectraBase Compound ID 3qge7566OZg
InChI InChI=1S/C24H19ClN4O3S/c1-32-23(31)16-11-13-17(14-12-16)26-21(30)15-33-24-28-27-22(19-9-5-6-10-20(19)25)29(24)18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,26,30)
InChIKey FZMIKAWSTHCPRJ-UHFFFAOYSA-N
Mol Weight 478.95 g/mol
Molecular Formula C24H19ClN4O3S
Exact Mass 478.086639 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 13FpRQuzTis
Name methyl 4-[({[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
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/C24H19ClN4O3S/c1-32-23(31)16-11-13-17(14-12-16)26-21(30)15-33-24-28-27-22(19-9-5-6-10-20(19)25)29(24)18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,26,30)
InChIKey FZMIKAWSTHCPRJ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4367
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: D98887; Labnumber: GRES-27824; SBI_ID: SBI-004369
Temperature 306 °C