| SpectraBase Compound ID | 7QNgvfZCqst |
|---|---|
| InChI | InChI=1S/C14H27NO4/c1-12(2)8-7-11-19-13(16)9-5-4-6-10-15-14(17)18-3/h12H,4-11H2,1-3H3,(H,15,17) |
| InChIKey | SJFUROKYXPMHQL-UHFFFAOYSA-N |
| Mol Weight | 273.37 g/mol |
| Molecular Formula | C14H27NO4 |
| Exact Mass | 273.194008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9lf0MNmlb9c |
|---|---|
| Name | 6-Aminocaproic acid, N-methoxycarbonyl-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.194008349 u |
| Formula | C14H27NO4 |
| InChI | InChI=1S/C14H27NO4/c1-12(2)8-7-11-19-13(16)9-5-4-6-10-15-14(17)18-3/h12H,4-11H2,1-3H3,(H,15,17) |
| InChIKey | SJFUROKYXPMHQL-UHFFFAOYSA-N |
| SMILES | COC(NCCCCCC(OCCCC(C)C)=O)=O |