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

View entire compound with spectra: 1 NMR

benzoic acid, 4-[4-[2-[(4-chlorophenyl)amino]-2-oxoethyl]-3-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-5-oxo-2-thioxo-1-imidazolidinyl]-, ethyl
SpectraBase Compound ID 9R9ibhjb8zE
InChI InChI=1S/C33H35ClFN5O4S/c1-2-44-32(43)23-4-12-28(13-5-23)40-31(42)29(22-30(41)36-26-10-6-24(34)7-11-26)39(33(40)45)17-3-16-37-18-20-38(21-19-37)27-14-8-25(35)9-15-27/h4-15,29H,2-3,16-22H2,1H3,(H,36,41)
InChIKey ZOSCSUAYGWJANS-UHFFFAOYSA-N
Mol Weight 652.2 g/mol
Molecular Formula C33H35ClFN5O4S
Exact Mass 651.208232 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6LXjmmrQyzb
Name benzoic acid, 4-[4-[2-[(4-chlorophenyl)amino]-2-oxoethyl]-3-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-5-oxo-2-thioxo-1-imidazolidinyl]-, ethyl
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 651.208231660 u
Formula C33H35ClFN5O4S
InChI InChI=1S/C33H35ClFN5O4S/c1-2-44-32(43)23-4-12-28(13-5-23)40-31(42)29(22-30(41)36-26-10-6-24(34)7-11-26)39(33(40)45)17-3-16-37-18-20-38(21-19-37)27-14-8-25(35)9-15-27/h4-15,29H,2-3,16-22H2,1H3,(H,36,41)
InChIKey ZOSCSUAYGWJANS-UHFFFAOYSA-N
Molecular Weight 652.185 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_2360
Solvent DMSO-d6
Source Vendor ID: NMR/13268683