![2-[3-[3-(4-benzyl-1-piperazinyl)propyl]-1-(4-fluorophenyl)-5-oxo-2-thioxo-4-imidazolidinyl]-N-(4-propoxyphenyl)acetamide](/api/spectrum/J1dz6nvDya5/structure.png?h=300&w=458 "2-[3-[3-(4-benzyl-1-piperazinyl)propyl]-1-(4-fluorophenyl)-5-oxo-2-thioxo-4-imidazolidinyl]-N-(4-propoxyphenyl)acetamide")
| SpectraBase Compound ID | 26RBfOPVgVl |
|---|---|
| InChI | InChI=1S/C34H40FN5O3S/c1-2-23-43-30-15-11-28(12-16-30)36-32(41)24-31-33(42)40(29-13-9-27(35)10-14-29)34(44)39(31)18-6-17-37-19-21-38(22-20-37)25-26-7-4-3-5-8-26/h3-5,7-16,31H,2,6,17-25H2,1H3,(H,36,41) |
| InChIKey | HRRJHFLXBYGZKG-UHFFFAOYSA-N |
| Mol Weight | 617.8 g/mol |
| Molecular Formula | C34H40FN5O3S |
| Exact Mass | 617.28359 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | J1dz6nvDya5 |
|---|---|
| Name | 2-[3-[3-(4-benzyl-1-piperazinyl)propyl]-1-(4-fluorophenyl)-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 | 617.283589502 u |
| Formula | C34H40FN5O3S |
| InChI | InChI=1S/C34H40FN5O3S/c1-2-23-43-30-15-11-28(12-16-30)36-32(41)24-31-33(42)40(29-13-9-27(35)10-14-29)34(44)39(31)18-6-17-37-19-21-38(22-20-37)25-26-7-4-3-5-8-26/h3-5,7-16,31H,2,6,17-25H2,1H3,(H,36,41) |
| InChIKey | HRRJHFLXBYGZKG-UHFFFAOYSA-N |
| Molecular Weight | 617.784 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_5432 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12319133 |