| SpectraBase Compound ID | H8q8KOqK5Ix |
|---|---|
| InChI | InChI=1S/C17H25NO3/c1-5-6-11-21-17(20)15(12(2)3)18-16(19)14-9-7-13(4)8-10-14/h7-10,12,15H,5-6,11H2,1-4H3,(H,18,19) |
| InChIKey | WHEIBZRPHDEVHA-UHFFFAOYSA-N |
| Mol Weight | 291.39 g/mol |
| Molecular Formula | C17H25NO3 |
| Exact Mass | 291.183444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8npkTqTen36 |
|---|---|
| Name | L-Valine, N-(4-methylbenzoyl)-, butyl 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/c1-5-6-11-21-17(20)15(12(2)3)18-16(19)14-9-7-13(4)8-10-14/h7-10,12,15H,5-6,11H2,1-4H3,(H,18,19) |
| InChIKey | WHEIBZRPHDEVHA-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC(=C1)C(NC(C(C)C)C(=O)OCCCC)=O)C |