| SpectraBase Compound ID | 4A9eoHiWsjw |
|---|---|
| InChI | InChI=1S/C16H26O2/c1-2-3-4-5-15(17)18-16-13-7-11-6-12(9-13)10-14(16)8-11/h11-14,16H,2-10H2,1H3/t11-,12+,13-,14+,16- |
| InChIKey | JXXSSRSKBSFZHL-ZTHLODLZSA-N |
| Mol Weight | 250.38 g/mol |
| Molecular Formula | C16H26O2 |
| Exact Mass | 250.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7dp31qmBP1A |
|---|---|
| Name | Hexanoic acid, 2-adamantyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.193280075 u |
| Formula | C16H26O2 |
| InChI | InChI=1S/C16H26O2/c1-2-3-4-5-15(17)18-16-13-7-11-6-12(9-13)10-14(16)8-11/h11-14,16H,2-10H2,1H3/t11-,12+,13-,14+,16- |
| InChIKey | JXXSSRSKBSFZHL-ZTHLODLZSA-N |
| Molecular Weight | 250.382 g/mol |
| SMILES | [C@]12(C[C@@]3(C[C@](C2OC(=O)CCCCC)(C[C@](C1)(C3)[H])[H])[H])[H] |