![2-[3-[3-(4-benzyl-1-piperazinyl)propyl]-1-(4-methylphenyl)-5-oxo-2-thioxo-4-imidazolidinyl]-N-(4-propoxyphenyl)acetamide](/api/spectrum/GIgvSBKXD1z/structure.png?h=300&w=458 "2-[3-[3-(4-benzyl-1-piperazinyl)propyl]-1-(4-methylphenyl)-5-oxo-2-thioxo-4-imidazolidinyl]-N-(4-propoxyphenyl)acetamide")
| SpectraBase Compound ID | 5VTn8ejtrze |
|---|---|
| InChI | InChI=1S/C35H43N5O3S/c1-3-24-43-31-16-12-29(13-17-31)36-33(41)25-32-34(42)40(30-14-10-27(2)11-15-30)35(44)39(32)19-7-18-37-20-22-38(23-21-37)26-28-8-5-4-6-9-28/h4-6,8-17,32H,3,7,18-26H2,1-2H3,(H,36,41) |
| InChIKey | KYXQGERIYQJGQQ-UHFFFAOYSA-N |
| Mol Weight | 613.8 g/mol |
| Molecular Formula | C35H43N5O3S |
| Exact Mass | 613.308661 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | GIgvSBKXD1z |
|---|---|
| Name | 2-[3-[3-(4-benzyl-1-piperazinyl)propyl]-1-(4-methylphenyl)-5-oxo-2-thioxo-4-imidazolidinyl]-N-(4-propoxyphenyl)acetamide |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 613.308661436 u |
| Formula | C35H43N5O3S |
| InChI | InChI=1S/C35H43N5O3S/c1-3-24-43-31-16-12-29(13-17-31)36-33(41)25-32-34(42)40(30-14-10-27(2)11-15-30)35(44)39(32)19-7-18-37-20-22-38(23-21-37)26-28-8-5-4-6-9-28/h4-6,8-17,32H,3,7,18-26H2,1-2H3,(H,36,41) |
| InChIKey | KYXQGERIYQJGQQ-UHFFFAOYSA-N |
| Molecular Weight | 613.821 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_5427 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12319128 |