![benzoic acid, 4-[[[1-(3-chlorophenyl)-5-oxo-3-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-2-thioxo-4-imidazolidinyl]acetyl]amino]-, ethyl ester](/api/spectrum/4S5QdDgaaky/structure.png?h=300&w=458 "benzoic acid, 4-[[[1-(3-chlorophenyl)-5-oxo-3-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-2-thioxo-4-imidazolidinyl]acetyl]amino]-, ethyl ester")
| SpectraBase Compound ID | LbuRiXtCoRQ |
|---|---|
| InChI | InChI=1S/C34H38ClN5O4S/c1-2-44-33(43)26-12-14-28(15-13-26)36-31(41)23-30-32(42)40(29-11-6-10-27(35)22-29)34(45)39(30)17-7-16-37-18-20-38(21-19-37)24-25-8-4-3-5-9-25/h3-6,8-15,22,30H,2,7,16-21,23-24H2,1H3,(H,36,41) |
| InChIKey | NDWMCSQZLFYRPI-UHFFFAOYSA-N |
| Mol Weight | 648.2 g/mol |
| Molecular Formula | C34H38ClN5O4S |
| Exact Mass | 647.233304 g/mol |
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 | 4S5QdDgaaky |
|---|---|
| Name | benzoic acid, 4-[[[1-(3-chlorophenyl)-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 | 647.233303594 u |
| Formula | C34H38ClN5O4S |
| InChI | InChI=1S/C34H38ClN5O4S/c1-2-44-33(43)26-12-14-28(15-13-26)36-31(41)23-30-32(42)40(29-11-6-10-27(35)22-29)34(45)39(30)17-7-16-37-18-20-38(21-19-37)24-25-8-4-3-5-9-25/h3-6,8-15,22,30H,2,7,16-21,23-24H2,1H3,(H,36,41) |
| InChIKey | NDWMCSQZLFYRPI-UHFFFAOYSA-N |
| Molecular Weight | 648.222 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2021_466 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/13238942 |