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

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benzoic acid, 4-[[[[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, ethyl ester
SpectraBase Compound ID 24Id8Z5hzPb
InChI InChI=1S/C25H21FN4O3S/c1-2-33-24(32)17-11-13-20(14-12-17)27-22(31)16-34-25-29-28-23(18-7-6-8-19(26)15-18)30(25)21-9-4-3-5-10-21/h3-15H,2,16H2,1H3,(H,27,31)
InChIKey FMXCCODUYJYGEB-UHFFFAOYSA-N
Mol Weight 476.53 g/mol
Molecular Formula C25H21FN4O3S
Exact Mass 476.13184 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GmhxWO9H2mP
Name benzoic acid, 4-[[[[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, ethyl 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 476.131839886 u
Formula C25H21FN4O3S
InChI InChI=1S/C25H21FN4O3S/c1-2-33-24(32)17-11-13-20(14-12-17)27-22(31)16-34-25-29-28-23(18-7-6-8-19(26)15-18)30(25)21-9-4-3-5-10-21/h3-15H,2,16H2,1H3,(H,27,31)
InChIKey FMXCCODUYJYGEB-UHFFFAOYSA-N
Molecular Weight 476.526 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12346
Solvent DMSO-d6
Source Vendor ID: NMR/10272341; Lab Info: SAD; Lab Number: SAD-1902296