| SpectraBase Compound ID | 1T5MeMrK6Vb |
|---|---|
| InChI | InChI=1S/C24H47NO4/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-29-23(26)22(21(3)4)25(5)24(27)28-7-2/h21-22H,6-20H2,1-5H3 |
| InChIKey | FXNRISMJEJSUEY-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 | 9zb2YD4NazN |
|---|---|
| Name | Valine, N-methyl-N-ethoxycarbonyl-, pentadecyl 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/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-29-23(26)22(21(3)4)25(5)24(27)28-7-2/h21-22H,6-20H2,1-5H3 |
| InChIKey | FXNRISMJEJSUEY-UHFFFAOYSA-N |
| Molecular Weight | 413.643 g/mol |
| SMILES | C(N(C(C(OCCCCCCCCCCCCCCC)=O)C(C)C)C)(OCC)=O |