![benzoic acid, 4-[[[1-(3-methoxyphenyl)-5-oxo-3-[3-(4-phenyl-1-piperazinyl)propyl]-2-thioxo-4-imidazolidinyl]acetyl]amino]-, ethyl ester](/api/spectrum/FD5kVeuyCbR/structure.png?h=300&w=458 "benzoic acid, 4-[[[1-(3-methoxyphenyl)-5-oxo-3-[3-(4-phenyl-1-piperazinyl)propyl]-2-thioxo-4-imidazolidinyl]acetyl]amino]-, ethyl ester")
| SpectraBase Compound ID | E3EjB5V1shp |
|---|---|
| InChI | InChI=1S/C34H39N5O5S/c1-3-44-33(42)25-13-15-26(16-14-25)35-31(40)24-30-32(41)39(28-11-7-12-29(23-28)43-2)34(45)38(30)18-8-17-36-19-21-37(22-20-36)27-9-5-4-6-10-27/h4-7,9-16,23,30H,3,8,17-22,24H2,1-2H3,(H,35,40) |
| InChIKey | XIWMHEPHPUXJMF-UHFFFAOYSA-N |
| Mol Weight | 629.8 g/mol |
| Molecular Formula | C34H39N5O5S |
| Exact Mass | 629.267191 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | FD5kVeuyCbR |
|---|---|
| Name | benzoic acid, 4-[[[1-(3-methoxyphenyl)-5-oxo-3-[3-(4-phenyl-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 | 629.267190545 u |
| Formula | C34H39N5O5S |
| InChI | InChI=1S/C34H39N5O5S/c1-3-44-33(42)25-13-15-26(16-14-25)35-31(40)24-30-32(41)39(28-11-7-12-29(23-28)43-2)34(45)38(30)18-8-17-36-19-21-37(22-20-36)27-9-5-4-6-10-27/h4-7,9-16,23,30H,3,8,17-22,24H2,1-2H3,(H,35,40) |
| InChIKey | XIWMHEPHPUXJMF-UHFFFAOYSA-N |
| Molecular Weight | 629.776 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2021_502 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13238983 |