![2-{1-allyl-3-[3-(4-benzyl-1-piperazinyl)propyl]-5-oxo-2-thioxo-4-imidazolidinyl}-N-(4-propoxyphenyl)acetamide](/api/spectrum/3Ia6M2FECcr/structure.png?h=300&w=458 "2-{1-allyl-3-[3-(4-benzyl-1-piperazinyl)propyl]-5-oxo-2-thioxo-4-imidazolidinyl}-N-(4-propoxyphenyl)acetamide")
| SpectraBase Compound ID | HCr36szRIDz |
|---|---|
| InChI | InChI=1S/C31H41N5O3S/c1-3-15-36-30(38)28(23-29(37)32-26-11-13-27(14-12-26)39-22-4-2)35(31(36)40)17-8-16-33-18-20-34(21-19-33)24-25-9-6-5-7-10-25/h3,5-7,9-14,28H,1,4,8,15-24H2,2H3,(H,32,37) |
| InChIKey | GBQQMUHSYQYLBW-UHFFFAOYSA-N |
| Mol Weight | 563.8 g/mol |
| Molecular Formula | C31H41N5O3S |
| Exact Mass | 563.293011 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 | 3Ia6M2FECcr |
|---|---|
| Name | 2-{1-allyl-3-[3-(4-benzyl-1-piperazinyl)propyl]-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 | 563.293011371 u |
| Formula | C31H41N5O3S |
| InChI | InChI=1S/C31H41N5O3S/c1-3-15-36-30(38)28(23-29(37)32-26-11-13-27(14-12-26)39-22-4-2)35(31(36)40)17-8-16-33-18-20-34(21-19-33)24-25-9-6-5-7-10-25/h3,5-7,9-14,28H,1,4,8,15-24H2,2H3,(H,32,37) |
| InChIKey | GBQQMUHSYQYLBW-UHFFFAOYSA-N |
| Molecular Weight | 563.761 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_5433 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12319134 |