| SpectraBase Compound ID | IfMeej4dnjS |
|---|---|
| InChI | InChI=1S/C18H30O2/c1-2-3-4-5-6-7-20-17(19)18-11-14-8-15(12-18)10-16(9-14)13-18/h14-16H,2-13H2,1H3/t14-,15+,16-,18- |
| InChIKey | MZIUTRRORYEJQR-CMIRHGDUSA-N |
| Mol Weight | 278.44 g/mol |
| Molecular Formula | C18H30O2 |
| Exact Mass | 278.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2okTbTlwO4P |
|---|---|
| Name | 1-Adamantanecarboxylic acid, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.224580204 u |
| Formula | C18H30O2 |
| InChI | InChI=1S/C18H30O2/c1-2-3-4-5-6-7-20-17(19)18-11-14-8-15(12-18)10-16(9-14)13-18/h14-16H,2-13H2,1H3/t14-,15+,16-,18- |
| InChIKey | MZIUTRRORYEJQR-CMIRHGDUSA-N |
| SMILES | CCCCCCCOC(=O)C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H] |