| SpectraBase Compound ID | BfnyY3ed5S2 |
|---|---|
| InChI | InChI=1S/C17H33NO5/c1-3-4-5-6-10-13-22-16(19)11-8-7-9-12-18-17(20)23-15-14-21-2/h3-15H2,1-2H3,(H,18,20) |
| InChIKey | PRXJGQSWUMNNLD-UHFFFAOYSA-N |
| Mol Weight | 331.5 g/mol |
| Molecular Formula | C17H33NO5 |
| Exact Mass | 331.235873 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2JrbZeGvaek |
|---|---|
| Name | 6-Aminocaproic acid, N-(2-methoxyethoxycarbonyl)-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.235873162 u |
| Formula | C17H33NO5 |
| InChI | InChI=1S/C17H33NO5/c1-3-4-5-6-10-13-22-16(19)11-8-7-9-12-18-17(20)23-15-14-21-2/h3-15H2,1-2H3,(H,18,20) |
| InChIKey | PRXJGQSWUMNNLD-UHFFFAOYSA-N |
| Molecular Weight | 331.453 g/mol |
| SMILES | COCCOC(NCCCCCC(OCCCCCCC)=O)=O |