For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

benzoic acid, 4-[[[1-(4-fluorophenyl)-5-oxo-3-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-2-thioxo-4-imidazolidinyl]acetyl]amino]-, ethyl ester
SpectraBase Compound ID HezweE9Bp91
InChI InChI=1S/C34H38FN5O4S/c1-2-44-33(43)26-9-13-28(14-10-26)36-31(41)23-30-32(42)40(29-15-11-27(35)12-16-29)34(45)39(30)18-6-17-37-19-21-38(22-20-37)24-25-7-4-3-5-8-25/h3-5,7-16,30H,2,6,17-24H2,1H3,(H,36,41)
InChIKey XZKKBTJIPIZEAO-UHFFFAOYSA-N
Mol Weight 631.8 g/mol
Molecular Formula C34H38FN5O4S
Exact Mass 631.262854 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7W2IYByvZJJ
Name benzoic acid, 4-[[[1-(4-fluorophenyl)-5-oxo-3-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-2-thioxo-4-imidazolidinyl]acetyl]amino]-, 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 631.262854057 u
Formula C34H38FN5O4S
InChI InChI=1S/C34H38FN5O4S/c1-2-44-33(43)26-9-13-28(14-10-26)36-31(41)23-30-32(42)40(29-15-11-27(35)12-16-29)34(45)39(30)18-6-17-37-19-21-38(22-20-37)24-25-7-4-3-5-8-25/h3-5,7-16,30H,2,6,17-24H2,1H3,(H,36,41)
InChIKey XZKKBTJIPIZEAO-UHFFFAOYSA-N
Molecular Weight 631.767 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_463
Solvent DMSO-d6
Source Vendor ID: NMR/13238938