| SpectraBase Compound ID | CoRhmCA8Jn9 |
|---|---|
| InChI | InChI=1S/C24H47NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-29-23(26)20-17-16-18-21-25-24(27)28-2/h3-22H2,1-2H3,(H,25,27) |
| InChIKey | XVLDFWJFSKSJTQ-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 | J5rQO5MR6h4 |
|---|---|
| Name | 6-Aminocaproic acid, 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/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-29-23(26)20-17-16-18-21-25-24(27)28-2/h3-22H2,1-2H3,(H,25,27) |
| InChIKey | XVLDFWJFSKSJTQ-UHFFFAOYSA-N |
| Molecular Weight | 413.643 g/mol |
| SMILES | COC(NCCCCCC(OCCCCCCCCCCCCCCCC)=O)=O |