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benzoic acid, 4-[4-[2-[(4-fluorophenyl)amino]-2-oxoethyl]-5-oxo-3-(2-thienylmethyl)-2-thioxo-1-imidazolidinyl]-, ethyl ester

View entire compound with spectra: 1 NMR

benzoic acid, 4-[4-[2-[(4-fluorophenyl)amino]-2-oxoethyl]-5-oxo-3-(2-thienylmethyl)-2-thioxo-1-imidazolidinyl]-, ethyl ester
SpectraBase Compound ID 3rqWVSLNnD1
InChI InChI=1S/C25H22FN3O4S2/c1-2-33-24(32)16-5-11-19(12-6-16)29-23(31)21(28(25(29)34)15-20-4-3-13-35-20)14-22(30)27-18-9-7-17(26)8-10-18/h3-13,21H,2,14-15H2,1H3,(H,27,30)
InChIKey CKBISJGXISIKAL-UHFFFAOYSA-N
Mol Weight 511.59 g/mol
Molecular Formula C25H22FN3O4S2
Exact Mass 511.103577 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Binx6yUhrmE
Name benzoic acid, 4-[4-[2-[(4-fluorophenyl)amino]-2-oxoethyl]-5-oxo-3-(2-thienylmethyl)-2-thioxo-1-imidazolidinyl]-, 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 511.103576707 u
Formula C25H22FN3O4S2
InChI InChI=1S/C25H22FN3O4S2/c1-2-33-24(32)16-5-11-19(12-6-16)29-23(31)21(28(25(29)34)15-20-4-3-13-35-20)14-22(30)27-18-9-7-17(26)8-10-18/h3-13,21H,2,14-15H2,1H3,(H,27,30)
InChIKey CKBISJGXISIKAL-UHFFFAOYSA-N
Molecular Weight 511.586 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6682
Solvent DMSO-d6
Source Vendor ID: NMR/10220258; Lab Info: PE; Lab Number: PE-0790227