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

View entire compound with spectra: 1 NMR, and 1 MS (GC)

benzoic acid, 4-[[[3-[2-(3,4-diethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-oxo-2-thioxo-4-imidazolidinyl]acetyl]amino]-, methyl ester
SpectraBase Compound ID 4If6cdlE53Y
InChI InChI=1S/C31H32FN3O6S/c1-4-40-26-15-6-20(18-27(26)41-5-2)16-17-34-25(29(37)35(31(34)42)24-13-9-22(32)10-14-24)19-28(36)33-23-11-7-21(8-12-23)30(38)39-3/h6-15,18,25H,4-5,16-17,19H2,1-3H3,(H,33,36)
InChIKey QMTMATJPKVOVMO-UHFFFAOYSA-N
Mol Weight 593.7 g/mol
Molecular Formula C31H32FN3O6S
Exact Mass 593.199585 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HhPm5IImpdJ
Name benzoic acid, 4-[[[3-[2-(3,4-diethoxyphenyl)ethyl]-1-(4-fluorophenyl)-5-oxo-2-thioxo-4-imidazolidinyl]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 593.199585093 u
Formula C31H32FN3O6S
InChI InChI=1S/C31H32FN3O6S/c1-4-40-26-15-6-20(18-27(26)41-5-2)16-17-34-25(29(37)35(31(34)42)24-13-9-22(32)10-14-24)19-28(36)33-23-11-7-21(8-12-23)30(38)39-3/h6-15,18,25H,4-5,16-17,19H2,1-3H3,(H,33,36)
InChIKey QMTMATJPKVOVMO-UHFFFAOYSA-N
Molecular Weight 593.670 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15994
Solvent DMSO-d6
Source Vendor ID: NMR/11230184; Lab Info: PE; Lab Number: 7MR56D10