| SpectraBase Compound ID | C3113l8xvMY |
|---|---|
| InChI | InChI=1S/C17H33NO4/c1-6-8-9-10-11-12-13-22-16(19)15(14(3)4)18(5)17(20)21-7-2/h14-15H,6-13H2,1-5H3 |
| InChIKey | GZUILOJUNOAKGS-UHFFFAOYSA-N |
| Mol Weight | 315.5 g/mol |
| Molecular Formula | C17H33NO4 |
| Exact Mass | 315.240959 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HBCeI2auHfb |
|---|---|
| Name | Valine, N-methyl-N-ethoxycarbonyl-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.240958543 u |
| Formula | C17H33NO4 |
| InChI | InChI=1S/C17H33NO4/c1-6-8-9-10-11-12-13-22-16(19)15(14(3)4)18(5)17(20)21-7-2/h14-15H,6-13H2,1-5H3 |
| InChIKey | GZUILOJUNOAKGS-UHFFFAOYSA-N |
| Molecular Weight | 315.454 g/mol |
| SMILES | CCOC(N(C(C(OCCCCCCCC)=O)C(C)C)C)=O |