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ethyl 4-(4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-3-{3-[4-(4-fluorophenyl)-1-piperazinyl]propyl}-5-oxo-2-thioxo-1-imidazolidinyl)benzoate

View entire compound with spectra: 1 NMR

ethyl 4-(4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-3-{3-[4-(4-fluorophenyl)-1-piperazinyl]propyl}-5-oxo-2-thioxo-1-imidazolidinyl)benzoate
SpectraBase Compound ID HC5mWW61jO8
InChI InChI=1S/C36H40FN5O6S/c1-3-47-34(45)25-6-12-28(13-7-25)38-32(43)24-31-33(44)42(30-14-8-26(9-15-30)35(46)48-4-2)36(49)41(31)19-5-18-39-20-22-40(23-21-39)29-16-10-27(37)11-17-29/h6-17,31H,3-5,18-24H2,1-2H3,(H,38,43)
InChIKey FBWVNDJLHRRPOU-UHFFFAOYSA-N
Mol Weight 689.8 g/mol
Molecular Formula C36H40FN5O6S
Exact Mass 689.268333 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6UFAjvGYJew
Name ethyl 4-(4-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-3-{3-[4-(4-fluorophenyl)-1-piperazinyl]propyl}-5-oxo-2-thioxo-1-imidazolidinyl)benzoate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 689.268333359 u
Formula C36H40FN5O6S
InChI InChI=1S/C36H40FN5O6S/c1-3-47-34(45)25-6-12-28(13-7-25)38-32(43)24-31-33(44)42(30-14-8-26(9-15-30)35(46)48-4-2)36(49)41(31)19-5-18-39-20-22-40(23-21-39)29-16-10-27(37)11-17-29/h6-17,31H,3-5,18-24H2,1-2H3,(H,38,43)
InChIKey FBWVNDJLHRRPOU-UHFFFAOYSA-N
Molecular Weight 689.803 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_8606
Solvent DMSO-d6
Source Vendor ID: NMR/13219890