| SpectraBase Compound ID | 70RvFfYsLye |
|---|---|
| InChI | InChI=1S/C17H25NO3/c1-11(2)10-21-17(20)15(12(3)4)18-16(19)14-8-6-13(5)7-9-14/h6-9,11-12,15H,10H2,1-5H3,(H,18,19) |
| InChIKey | IYFWXGBAESKOBP-UHFFFAOYSA-N |
| Mol Weight | 291.39 g/mol |
| Molecular Formula | C17H25NO3 |
| Exact Mass | 291.183444 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 | m6u9vMJCAT |
|---|---|
| Name | L-Valine, N-(4-methylbenzoyl)-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.183443666 u |
| Formula | C17H25NO3 |
| InChI | InChI=1S/C17H25NO3/c1-11(2)10-21-17(20)15(12(3)4)18-16(19)14-8-6-13(5)7-9-14/h6-9,11-12,15H,10H2,1-5H3,(H,18,19) |
| InChIKey | IYFWXGBAESKOBP-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C=C1)C(NC(C(C)C)C(=O)OCC(C)C)=O)C |