| SpectraBase Compound ID | 9ZKHAKNDWPw |
|---|---|
| InChI | InChI=1S/C15H21NO4/c1-5-20-15(18)13(10(2)3)16-14(17)11-8-6-7-9-12(11)19-4/h6-10,13H,5H2,1-4H3,(H,16,17) |
| InChIKey | YGCONZODUDQROP-UHFFFAOYSA-N |
| Mol Weight | 279.34 g/mol |
| Molecular Formula | C15H21NO4 |
| Exact Mass | 279.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2aLBrz0A1et |
|---|---|
| Name | L-Valine, N-(2-methoxybenzoyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.147058156 u |
| Formula | C15H21NO4 |
| InChI | InChI=1S/C15H21NO4/c1-5-20-15(18)13(10(2)3)16-14(17)11-8-6-7-9-12(11)19-4/h6-10,13H,5H2,1-4H3,(H,16,17) |
| InChIKey | YGCONZODUDQROP-UHFFFAOYSA-N |
| Molecular Weight | 279.336 g/mol |
| SMILES | C(NC(C(C)C)C(=O)OCC)(=O)C=1C=CC=CC1OC |