| SpectraBase Compound ID | JK11jloZEev |
|---|---|
| InChI | InChI=1S/C18H35NO4/c1-3-5-6-7-8-12-16-22-17(20)13-10-9-11-14-19-18(21)23-15-4-2/h3-16H2,1-2H3,(H,19,21) |
| InChIKey | MCLWUJZQCCISHS-UHFFFAOYSA-N |
| Mol Weight | 329.5 g/mol |
| Molecular Formula | C18H35NO4 |
| Exact Mass | 329.256609 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9k23da2G3aH |
|---|---|
| Name | 6-Aminocaproic acid, N-propoxycarbonyl-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.256608607 u |
| Formula | C18H35NO4 |
| InChI | InChI=1S/C18H35NO4/c1-3-5-6-7-8-12-16-22-17(20)13-10-9-11-14-19-18(21)23-15-4-2/h3-16H2,1-2H3,(H,19,21) |
| InChIKey | MCLWUJZQCCISHS-UHFFFAOYSA-N |
| Molecular Weight | 329.481 g/mol |
| SMILES | CCCOC(NCCCCCC(OCCCCCCCC)=O)=O |