![benzoic acid, 4-[[[1-(3-chloro-4-methoxyphenyl)-5-oxo-3-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-2-thioxo-4-imidazolidinyl]acetyl]amino]-,](/api/spectrum/C9qYnhXLSVf/structure.png?h=300&w=458 "benzoic acid, 4-[[[1-(3-chloro-4-methoxyphenyl)-5-oxo-3-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-2-thioxo-4-imidazolidinyl]acetyl]amino]-,")
| SpectraBase Compound ID | 7LE8xpigPUn |
|---|---|
| InChI | InChI=1S/C35H40ClN5O5S/c1-3-46-34(44)26-10-12-27(13-11-26)37-32(42)23-30-33(43)41(28-14-15-31(45-2)29(36)22-28)35(47)40(30)17-7-16-38-18-20-39(21-19-38)24-25-8-5-4-6-9-25/h4-6,8-15,22,30H,3,7,16-21,23-24H2,1-2H3,(H,37,42) |
| InChIKey | IGLWTZITVZSIEF-UHFFFAOYSA-N |
| Mol Weight | 678.2 g/mol |
| Molecular Formula | C35H40ClN5O5S |
| Exact Mass | 677.243868 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | C9qYnhXLSVf |
|---|---|
| Name | benzoic acid, 4-[[[1-(3-chloro-4-methoxyphenyl)-5-oxo-3-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-2-thioxo-4-imidazolidinyl]acetyl]amino]-, |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 677.243868277 u |
| Formula | C35H40ClN5O5S |
| InChI | InChI=1S/C35H40ClN5O5S/c1-3-46-34(44)26-10-12-27(13-11-26)37-32(42)23-30-33(43)41(28-14-15-31(45-2)29(36)22-28)35(47)40(30)17-7-16-38-18-20-39(21-19-38)24-25-8-5-4-6-9-25/h4-6,8-15,22,30H,3,7,16-21,23-24H2,1-2H3,(H,37,42) |
| InChIKey | IGLWTZITVZSIEF-UHFFFAOYSA-N |
| Molecular Weight | 678.248 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2021_455 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13238927 |