| SpectraBase Compound ID | Gr5fjmTeHF7 |
|---|---|
| InChI | InChI=1S/C19H37NO4/c1-6-7-8-9-10-11-12-13-14-15-24-18(21)17(16(2)3)20(4)19(22)23-5/h16-17H,6-15H2,1-5H3 |
| InChIKey | DKJDYQXSVWUKED-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 | 3fr245r1deZ |
|---|---|
| Name | Valine, N-methyl-N-methoxycarbonyl-, undecyl 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/c1-6-7-8-9-10-11-12-13-14-15-24-18(21)17(16(2)3)20(4)19(22)23-5/h16-17H,6-15H2,1-5H3 |
| InChIKey | DKJDYQXSVWUKED-UHFFFAOYSA-N |
| Molecular Weight | 343.508 g/mol |
| SMILES | COC(N(C(C(OCCCCCCCCCCC)=O)C(C)C)C)=O |