![benzoic acid, 4-[[[1-(3-chloro-4-methoxyphenyl)-5-oxo-3-[3-(4-phenyl-1-piperazinyl)propyl]-2-thioxo-4-imidazolidinyl]acetyl]amino]-, ethyl](/api/spectrum/385qwRE0cuu/structure.png?h=300&w=458 "benzoic acid, 4-[[[1-(3-chloro-4-methoxyphenyl)-5-oxo-3-[3-(4-phenyl-1-piperazinyl)propyl]-2-thioxo-4-imidazolidinyl]acetyl]amino]-, ethyl")
| SpectraBase Compound ID | GGHxgh1lpMl |
|---|---|
| InChI | InChI=1S/C34H38ClN5O5S/c1-3-45-33(43)24-10-12-25(13-11-24)36-31(41)23-29-32(42)40(27-14-15-30(44-2)28(35)22-27)34(46)39(29)17-7-16-37-18-20-38(21-19-37)26-8-5-4-6-9-26/h4-6,8-15,22,29H,3,7,16-21,23H2,1-2H3,(H,36,41) |
| InChIKey | RNHKBOGCVNNKCL-UHFFFAOYSA-N |
| Mol Weight | 664.2 g/mol |
| Molecular Formula | C34H38ClN5O5S |
| Exact Mass | 663.228218 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 385qwRE0cuu |
|---|---|
| Name | benzoic acid, 4-[[[1-(3-chloro-4-methoxyphenyl)-5-oxo-3-[3-(4-phenyl-1-piperazinyl)propyl]-2-thioxo-4-imidazolidinyl]acetyl]amino]-, 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 | 663.228218213 u |
| Formula | C34H38ClN5O5S |
| InChI | InChI=1S/C34H38ClN5O5S/c1-3-45-33(43)24-10-12-25(13-11-24)36-31(41)23-29-32(42)40(27-14-15-30(44-2)28(35)22-27)34(46)39(29)17-7-16-37-18-20-38(21-19-37)26-8-5-4-6-9-26/h4-6,8-15,22,29H,3,7,16-21,23H2,1-2H3,(H,36,41) |
| InChIKey | RNHKBOGCVNNKCL-UHFFFAOYSA-N |
| Molecular Weight | 664.221 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2021_517 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13239005 |