| SpectraBase Compound ID | E8PROqft6kB |
|---|---|
| InChI | InChI=1S/C16H31NO4/c1-5-6-7-8-11-14(17-16(19)20-4)15(18)21-12-9-10-13(2)3/h13-14H,5-12H2,1-4H3,(H,17,19) |
| InChIKey | YKLSIROXOCLHKE-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 | BSxep8ksdQ9 |
|---|---|
| Name | 2-Aminocaprylic acid, N-methoxycarbonyl-, isohexyl 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/c1-5-6-7-8-11-14(17-16(19)20-4)15(18)21-12-9-10-13(2)3/h13-14H,5-12H2,1-4H3,(H,17,19) |
| InChIKey | YKLSIROXOCLHKE-UHFFFAOYSA-N |
| SMILES | C(CCC(NC(OC)=O)C(=O)OCCCC(C)C)CCC |