| SpectraBase Compound ID | KiFPItkQpDq |
|---|---|
| InChI | InChI=1S/C16H31NO4/c1-3-5-6-10-14-20-15(18)11-8-7-9-12-17-16(19)21-13-4-2/h3-14H2,1-2H3,(H,17,19) |
| InChIKey | AFLJVHGOURXVTO-UHFFFAOYSA-N |
| Mol Weight | 301.43 g/mol |
| Molecular Formula | C16H31NO4 |
| Exact Mass | 301.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K4KOudaX0EE |
|---|---|
| Name | 6-Aminocaproic acid, N-propoxycarbonyl-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.225308478 u |
| Formula | C16H31NO4 |
| InChI | InChI=1S/C16H31NO4/c1-3-5-6-10-14-20-15(18)11-8-7-9-12-17-16(19)21-13-4-2/h3-14H2,1-2H3,(H,17,19) |
| InChIKey | AFLJVHGOURXVTO-UHFFFAOYSA-N |
| SMILES | CCCOC(NCCCCCC(OCCCCCC)=O)=O |