| SpectraBase Compound ID | DkCaCJTJbK3 |
|---|---|
| InChI | InChI=1S/C19H37NO4/c1-6-8-10-11-12-13-15-23-18(21)17(16(3)4)20(5)19(22)24-14-9-7-2/h16-17H,6-15H2,1-5H3 |
| InChIKey | UJAHUBBBGRPYIN-UHFFFAOYSA-N |
| Mol Weight | 343.5 g/mol |
| Molecular Formula | C19H37NO4 |
| Exact Mass | 343.272259 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FhZCaHXudr9 |
|---|---|
| Name | Valine, N-methyl-N-butoxycarbonyl-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 343.272258671 u |
| Formula | C19H37NO4 |
| InChI | InChI=1S/C19H37NO4/c1-6-8-10-11-12-13-15-23-18(21)17(16(3)4)20(5)19(22)24-14-9-7-2/h16-17H,6-15H2,1-5H3 |
| InChIKey | UJAHUBBBGRPYIN-UHFFFAOYSA-N |
| Molecular Weight | 343.508 g/mol |
| SMILES | CCCCOC(N(C(C(OCCCCCCCC)=O)C(C)C)C)=O |