| SpectraBase Compound ID | 2OCv3ITt6LH |
|---|---|
| InChI | InChI=1S/C16H24O2/c17-15(18-14-3-1-2-4-14)16-8-11-5-12(9-16)7-13(6-11)10-16/h11-14H,1-10H2/t11-,12+,13-,16- |
| InChIKey | HTGQOMVGLBWVMJ-WTHWONHRSA-N |
| Mol Weight | 248.37 g/mol |
| Molecular Formula | C16H24O2 |
| Exact Mass | 248.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | VAkhdHqJ58 |
|---|---|
| Name | 1-Adamantanecarboxylic acid, cyclopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.177630011 u |
| Formula | C16H24O2 |
| InChI | InChI=1S/C16H24O2/c17-15(18-14-3-1-2-4-14)16-8-11-5-12(9-16)7-13(6-11)10-16/h11-14H,1-10H2/t11-,12+,13-,16- |
| InChIKey | HTGQOMVGLBWVMJ-WTHWONHRSA-N |
| Molecular Weight | 248.366 g/mol |
| SMILES | C1CCCC1OC(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O |