| SpectraBase Compound ID | KBQMcY6meu6 |
|---|---|
| InChI | InChI=1S/C15H24O2/c1-2-3-4-14(16)17-15-12-6-10-5-11(8-12)9-13(15)7-10/h10-13,15H,2-9H2,1H3/t10-,11+,12-,13+,15- |
| InChIKey | NJGPPRWEWVFVIZ-XCYDRWPUSA-N |
| Mol Weight | 236.35 g/mol |
| Molecular Formula | C15H24O2 |
| Exact Mass | 236.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8bU8iqQfo1f |
|---|---|
| Name | Pentanoic acid, 2-adamantyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.177630011 u |
| Formula | C15H24O2 |
| InChI | InChI=1S/C15H24O2/c1-2-3-4-14(16)17-15-12-6-10-5-11(8-12)9-13(15)7-10/h10-13,15H,2-9H2,1H3/t10-,11+,12-,13+,15- |
| InChIKey | NJGPPRWEWVFVIZ-XCYDRWPUSA-N |
| Molecular Weight | 236.355 g/mol |
| SMILES | [C@]12(C[C@@]3(C[C@](C2OC(=O)CCCC)(C[C@](C1)(C3)[H])[H])[H])[H] |