![Valine methyl ester, N-[2-oxo-4-phenylbutyryl]-](/api/spectrum/9ATWpHEA8U8/structure.png?h=300&w=458 "Valine methyl ester, N-[2-oxo-4-phenylbutyryl]-")
| SpectraBase Compound ID | IpBOnnGCiqx |
|---|---|
| InChI | InChI=1S/C16H21NO4/c1-11(2)14(16(20)21-3)17-15(19)13(18)10-9-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3,(H,17,19) |
| InChIKey | MSAHAEKFCYUBEH-UHFFFAOYSA-N |
| Mol Weight | 291.35 g/mol |
| Molecular Formula | C16H21NO4 |
| Exact Mass | 291.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ATWpHEA8U8 |
|---|---|
| Name | Valine methyl ester, N-[2-oxo-4-phenylbutyryl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.147058156 u |
| Formula | C16H21NO4 |
| InChI | InChI=1S/C16H21NO4/c1-11(2)14(16(20)21-3)17-15(19)13(18)10-9-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3,(H,17,19) |
| InChIKey | MSAHAEKFCYUBEH-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC=C1)CCC(C(NC(C(OC)=O)C(C)C)=O)=O |