| SpectraBase Compound ID | EMx0XqcMYto |
|---|---|
| InChI | InChI=1S/C17H33NO4/c1-3-5-6-7-11-15-21-16(19)12-9-8-10-13-18-17(20)22-14-4-2/h3-15H2,1-2H3,(H,18,20) |
| InChIKey | VTFSPLQOGPFMEN-UHFFFAOYSA-N |
| Mol Weight | 315.5 g/mol |
| Molecular Formula | C17H33NO4 |
| Exact Mass | 315.240959 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 | E1CQhedKd7A |
|---|---|
| Name | 6-Aminocaproic acid, N-propoxycarbonyl-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.240958543 u |
| Formula | C17H33NO4 |
| InChI | InChI=1S/C17H33NO4/c1-3-5-6-7-11-15-21-16(19)12-9-8-10-13-18-17(20)22-14-4-2/h3-15H2,1-2H3,(H,18,20) |
| InChIKey | VTFSPLQOGPFMEN-UHFFFAOYSA-N |
| Molecular Weight | 315.454 g/mol |
| SMILES | CCCOC(NCCCCCC(OCCCCCCC)=O)=O |