| SpectraBase Compound ID | 8EW0dfK7jar |
|---|---|
| InChI | InChI=1S/C13H25NO4/c1-7-17-11(15)10(9(2)3)14-12(16)18-8-13(4,5)6/h9-10H,7-8H2,1-6H3,(H,14,16) |
| InChIKey | BEONNADRTVCZRR-UHFFFAOYSA-N |
| Mol Weight | 259.35 g/mol |
| Molecular Formula | C13H25NO4 |
| Exact Mass | 259.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ie86lv5Upg5 |
|---|---|
| Name | L-Valine, N-neopentyloxycarbonyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.178358285 u |
| Formula | C13H25NO4 |
| InChI | InChI=1S/C13H25NO4/c1-7-17-11(15)10(9(2)3)14-12(16)18-8-13(4,5)6/h9-10H,7-8H2,1-6H3,(H,14,16) |
| InChIKey | BEONNADRTVCZRR-UHFFFAOYSA-N |
| Molecular Weight | 259.346 g/mol |
| SMILES | CCOC(C(NC(OCC(C)(C)C)=O)C(C)C)=O |