| SpectraBase Compound ID | 6HpLwoMGqBE |
|---|---|
| InChI | InChI=1S/C24H47NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-23(26)22(21(2)3)25(4)24(27)28-5/h21-22H,6-20H2,1-5H3 |
| InChIKey | ZUUKHDYZOYNWEI-UHFFFAOYSA-N |
| Mol Weight | 413.6 g/mol |
| Molecular Formula | C24H47NO4 |
| Exact Mass | 413.350509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8JJhusHPjIg |
|---|---|
| Name | Valine, N-methyl-N-methoxycarbonyl-, hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 413.350508993 u |
| Formula | C24H47NO4 |
| InChI | InChI=1S/C24H47NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-23(26)22(21(2)3)25(4)24(27)28-5/h21-22H,6-20H2,1-5H3 |
| InChIKey | ZUUKHDYZOYNWEI-UHFFFAOYSA-N |
| Molecular Weight | 413.643 g/mol |
| SMILES | COC(N(C(C(OCCCCCCCCCCCCCCCC)=O)C(C)C)C)=O |