| SpectraBase Compound ID | BgCFFv9z1fR |
|---|---|
| InChI | InChI=1S/C25H27N3O4/c1-32-24(31)25(23(27)30,16-18-12-14-19(17-26)15-13-18)28(21-10-6-3-7-11-21)22(29)20-8-4-2-5-9-20/h2,4-5,8-9,12-15,21H,3,6-7,10-11,16H2,1H3,(H2,27,30)/t25-/m0/s1 |
| InChIKey | BDNVQCXCXRGUGH-VWLOTQADSA-N |
| Mol Weight | 433.51 g/mol |
| Molecular Formula | C25H27N3O4 |
| Exact Mass | 433.200156 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5r7hkOJicro |
|---|---|
| Name | N-Benzoyl-4-cyano-N-cyclohexyl-.alpha.-(methoxycarbonyl) phenylalaninamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 433.200156357 u |
| Formula | C25H27N3O4 |
| InChI | InChI=1S/C25H27N3O4/c1-32-24(31)25(23(27)30,16-18-12-14-19(17-26)15-13-18)28(21-10-6-3-7-11-21)22(29)20-8-4-2-5-9-20/h2,4-5,8-9,12-15,21H,3,6-7,10-11,16H2,1H3,(H2,27,30)/t25-/m0/s1 |
| InChIKey | BDNVQCXCXRGUGH-VWLOTQADSA-N |
| Molecular Weight | 433.508 g/mol |
| SMILES | C([C@@](N(C1CCCCC1)C(C=1C=CC=CC1)=O)(CC=1C=CC(=CC1)C#N)C(=O)OC)(=O)N |