| SpectraBase Compound ID | 3jcNsP2nIcU |
|---|---|
| InChI | InChI=1S/C17H28O2/c1-2-3-4-5-16(18)19-12-17-9-13-6-14(10-17)8-15(7-13)11-17/h13-15H,2-12H2,1H3/t13-,14+,15-,17- |
| InChIKey | ZJACWHNZJLLREX-LTBQPASTSA-N |
| Mol Weight | 264.41 g/mol |
| Molecular Formula | C17H28O2 |
| Exact Mass | 264.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CsnHz4yUL6I |
|---|---|
| Name | Hexanoic acid, 1-adamantylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.208930140 u |
| Formula | C17H28O2 |
| InChI | InChI=1S/C17H28O2/c1-2-3-4-5-16(18)19-12-17-9-13-6-14(10-17)8-15(7-13)11-17/h13-15H,2-12H2,1H3/t13-,14+,15-,17- |
| InChIKey | ZJACWHNZJLLREX-LTBQPASTSA-N |
| Molecular Weight | 264.409 g/mol |
| SMILES | [C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])COC(=O)CCCCC)[H] |