| SpectraBase Compound ID | 1oX3PVKygc9 |
|---|---|
| InChI | InChI=1S/C16H31NO5/c1-3-4-5-9-12-21-15(18)10-7-6-8-11-17-16(19)22-14-13-20-2/h3-14H2,1-2H3,(H,17,19) |
| InChIKey | HPMIDFGVSZCKAT-UHFFFAOYSA-N |
| Mol Weight | 317.43 g/mol |
| Molecular Formula | C16H31NO5 |
| Exact Mass | 317.220223 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ImfnjrBY2CK |
|---|---|
| Name | 6-Aminocaproic acid, N-(2-methoxyethoxycarbonyl)-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.220223097 u |
| Formula | C16H31NO5 |
| InChI | InChI=1S/C16H31NO5/c1-3-4-5-9-12-21-15(18)10-7-6-8-11-17-16(19)22-14-13-20-2/h3-14H2,1-2H3,(H,17,19) |
| InChIKey | HPMIDFGVSZCKAT-UHFFFAOYSA-N |
| Molecular Weight | 317.426 g/mol |
| SMILES | COCCOC(NCCCCCC(OCCCCCC)=O)=O |