| SpectraBase Compound ID | 5Ja7twOpZ2h |
|---|---|
| InChI | InChI=1S/C17H25NO4/c1-12(2)15(16(19)21-5)18(17(20)22-13(3)4)11-14-9-7-6-8-10-14/h6-10,12-13,15H,11H2,1-5H3 |
| InChIKey | TUYCFIQQDDJJAO-UHFFFAOYSA-N |
| Mol Weight | 307.39 g/mol |
| Molecular Formula | C17H25NO4 |
| Exact Mass | 307.178358 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 | 28MXV1AA0zc |
|---|---|
| Name | Benzyl-N-isopropyloxycarbonyl-L-valine, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.178358285 u |
| Formula | C17H25NO4 |
| InChI | InChI=1S/C17H25NO4/c1-12(2)15(16(19)21-5)18(17(20)22-13(3)4)11-14-9-7-6-8-10-14/h6-10,12-13,15H,11H2,1-5H3 |
| InChIKey | TUYCFIQQDDJJAO-UHFFFAOYSA-N |
| Molecular Weight | 307.390 g/mol |
| SMILES | C1(=CC=CC=C1)CN(C(C(C)C)C(=O)OC)C(OC(C)C)=O |