| SpectraBase Compound ID | DkTUsH2kIiN |
|---|---|
| InChI | InChI=1S/C17H33NO4/c1-4-7-9-11-13-15(18-17(20)21-6-3)16(19)22-14-12-10-8-5-2/h15H,4-14H2,1-3H3,(H,18,20) |
| InChIKey | PGFDCBBCNSPKNE-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 | 1WJTWOtUjVM |
|---|---|
| Name | 2-Aminocaprylic acid, N-ethoxycarbonyl-, hexyl 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/c1-4-7-9-11-13-15(18-17(20)21-6-3)16(19)22-14-12-10-8-5-2/h15H,4-14H2,1-3H3,(H,18,20) |
| InChIKey | PGFDCBBCNSPKNE-UHFFFAOYSA-N |
| Molecular Weight | 315.454 g/mol |
| SMILES | C(CC(NC(OCC)=O)C(=O)OCCCCCC)CCCC |