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benzoic acid, 2-[[[[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, methyl ester

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benzoic acid, 2-[[[[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, methyl ester
SpectraBase Compound ID 2KA0W7mwjbQ
InChI InChI=1S/C25H22N4O4S/c1-32-19-14-12-17(13-15-19)23-27-28-25(29(23)18-8-4-3-5-9-18)34-16-22(30)26-21-11-7-6-10-20(21)24(31)33-2/h3-15H,16H2,1-2H3,(H,26,30)
InChIKey TZERCIWPTIHQEX-UHFFFAOYSA-N
Mol Weight 474.54 g/mol
Molecular Formula C25H22N4O4S
Exact Mass 474.136176 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AlQO5xPMk7L
Name benzoic acid, 2-[[[[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.136176374 u
Formula C25H22N4O4S
InChI InChI=1S/C25H22N4O4S/c1-32-19-14-12-17(13-15-19)23-27-28-25(29(23)18-8-4-3-5-9-18)34-16-22(30)26-21-11-7-6-10-20(21)24(31)33-2/h3-15H,16H2,1-2H3,(H,26,30)
InChIKey TZERCIWPTIHQEX-UHFFFAOYSA-N
Molecular Weight 474.535 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13911
Solvent DMSO-d6
Source Vendor ID: NMR/10300200; Lab Info: LP; Lab Number: LP-2171040