| SpectraBase Compound ID | 192hJaIrN4J |
|---|---|
| InChI | InChI=1S/C15H29NO4/c1-4-19-15(18)16-11-7-5-6-10-14(17)20-12-8-9-13(2)3/h13H,4-12H2,1-3H3,(H,16,18) |
| InChIKey | SYMRNANTZORKKD-UHFFFAOYSA-N |
| Mol Weight | 287.4 g/mol |
| Molecular Formula | C15H29NO4 |
| Exact Mass | 287.209658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3PW0EAZ389R |
|---|---|
| Name | 6-Aminocaproic acid, N-ethoxycarbonyl-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.209658414 u |
| Formula | C15H29NO4 |
| InChI | InChI=1S/C15H29NO4/c1-4-19-15(18)16-11-7-5-6-10-14(17)20-12-8-9-13(2)3/h13H,4-12H2,1-3H3,(H,16,18) |
| InChIKey | SYMRNANTZORKKD-UHFFFAOYSA-N |
| SMILES | CCOC(NCCCCCC(OCCCC(C)C)=O)=O |