![ethyl 4-{3-[3-(4-benzyl-1-piperazinyl)propyl]-5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-2-thioxo-1-imidazolidinyl}benzoate](/api/spectrum/GsBCXfKRk8E/structure.png?h=300&w=458 "ethyl 4-{3-[3-(4-benzyl-1-piperazinyl)propyl]-5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-2-thioxo-1-imidazolidinyl}benzoate")
| SpectraBase Compound ID | 76hVhv9BMWD |
|---|---|
| InChI | InChI=1S/C37H45N5O5S/c1-3-25-47-32-17-13-30(14-18-32)38-34(43)26-33-35(44)42(31-15-11-29(12-16-31)36(45)46-4-2)37(48)41(33)20-8-19-39-21-23-40(24-22-39)27-28-9-6-5-7-10-28/h5-7,9-18,33H,3-4,8,19-27H2,1-2H3,(H,38,43) |
| InChIKey | YGZMRESDSFEGSK-UHFFFAOYSA-N |
| Mol Weight | 671.9 g/mol |
| Molecular Formula | C37H45N5O5S |
| Exact Mass | 671.314141 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | GsBCXfKRk8E |
|---|---|
| Name | ethyl 4-{3-[3-(4-benzyl-1-piperazinyl)propyl]-5-oxo-4-[2-oxo-2-(4-propoxyanilino)ethyl]-2-thioxo-1-imidazolidinyl}benzoate |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 671.314140738 u |
| Formula | C37H45N5O5S |
| InChI | InChI=1S/C37H45N5O5S/c1-3-25-47-32-17-13-30(14-18-32)38-34(43)26-33-35(44)42(31-15-11-29(12-16-31)36(45)46-4-2)37(48)41(33)20-8-19-39-21-23-40(24-22-39)27-28-9-6-5-7-10-28/h5-7,9-18,33H,3-4,8,19-27H2,1-2H3,(H,38,43) |
| InChIKey | YGZMRESDSFEGSK-UHFFFAOYSA-N |
| Molecular Weight | 671.857 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_5429 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12319130 |