| SpectraBase Compound ID | BUIlMIwLu9x |
|---|---|
| InChI | InChI=1S/C24H28N2O6/c1-2-31-23(29)20(13-17-9-5-3-6-10-17)25-22(28)21-14-19(27)15-26(21)24(30)32-16-18-11-7-4-8-12-18/h3-12,19-21,27H,2,13-16H2,1H3,(H,25,28)/t19?,20-,21-/m0/s1 |
| InChIKey | GLOLBBKFFYWAOR-AKQSQHNNSA-N |
| Mol Weight | 440.5 g/mol |
| Molecular Formula | C24H28N2O6 |
| Exact Mass | 440.194737 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 | KIE5AN31D8Q |
|---|---|
| Name | N-Carbobenzyloxy-hydroxy-L-prolyl-L-phenylalanine ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 440.194736624 u |
| Formula | C24H28N2O6 |
| InChI | InChI=1S/C24H28N2O6/c1-2-31-23(29)20(13-17-9-5-3-6-10-17)25-22(28)21-14-19(27)15-26(21)24(30)32-16-18-11-7-4-8-12-18/h3-12,19-21,27H,2,13-16H2,1H3,(H,25,28)/t19?,20-,21-/m0/s1 |
| InChIKey | GLOLBBKFFYWAOR-AKQSQHNNSA-N |
| Molecular Weight | 440.496 g/mol |
| SMILES | C1N([C@@](CC1O)(C(N[C@@](CC1=CC=CC=C1)(C(OCC)=O)[H])=O)[H])C(=O)OCC1=CC=CC=C1 |