| SpectraBase Compound ID | 6DjEwMfvoaZ |
|---|---|
| InChI | InChI=1S/C15H29NO4/c1-4-6-8-9-11-13(16-15(18)19-3)14(17)20-12-10-7-5-2/h13H,4-12H2,1-3H3,(H,16,18) |
| InChIKey | TYHRXBOGXWUCPS-UHFFFAOYSA-N |
| Mol Weight | 287.4 g/mol |
| Molecular Formula | C15H29NO4 |
| Exact Mass | 287.209658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 76YwQ56OAgA |
|---|---|
| Name | 2-Aminocaprylic acid, N-methoxycarbonyl-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.209658414 u |
| Formula | C15H29NO4 |
| InChI | InChI=1S/C15H29NO4/c1-4-6-8-9-11-13(16-15(18)19-3)14(17)20-12-10-7-5-2/h13H,4-12H2,1-3H3,(H,16,18) |
| InChIKey | TYHRXBOGXWUCPS-UHFFFAOYSA-N |
| SMILES | C(CCC(NC(OC)=O)C(=O)OCCCCC)CCC |