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

View entire compound with spectra: 1 NMR

ethyl 4-{3-{3-[4-(4-fluorophenyl)-1-piperazinyl]propyl}-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-thioxo-1-imidazolidinyl}benzoate
SpectraBase Compound ID C040y5IJO46
InChI InChI=1S/C34H38FN5O5S/c1-3-45-33(43)24-5-11-28(12-6-24)40-32(42)30(23-31(41)36-26-9-15-29(44-2)16-10-26)39(34(40)46)18-4-17-37-19-21-38(22-20-37)27-13-7-25(35)8-14-27/h5-16,30H,3-4,17-23H2,1-2H3,(H,36,41)
InChIKey PWCIVKAGMFXIJP-UHFFFAOYSA-N
Mol Weight 647.8 g/mol
Molecular Formula C34H38FN5O5S
Exact Mass 647.257769 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JCWOOwQAAIN
Name ethyl 4-{3-{3-[4-(4-fluorophenyl)-1-piperazinyl]propyl}-4-[2-(4-methoxyanilino)-2-oxoethyl]-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 647.257768676 u
Formula C34H38FN5O5S
InChI InChI=1S/C34H38FN5O5S/c1-3-45-33(43)24-5-11-28(12-6-24)40-32(42)30(23-31(41)36-26-9-15-29(44-2)16-10-26)39(34(40)46)18-4-17-37-19-21-38(22-20-37)27-13-7-25(35)8-14-27/h5-16,30H,3-4,17-23H2,1-2H3,(H,36,41)
InChIKey PWCIVKAGMFXIJP-UHFFFAOYSA-N
Molecular Weight 647.766 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_8600
Solvent DMSO-d6
Source Vendor ID: NMR/13219884