| SpectraBase Compound ID | FoArdW8svfx |
|---|---|
| InChI | InChI=1S/C16H26O2/c1-2-3-4-15(17)18-11-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,2-11H2,1H3/t12-,13+,14-,16- |
| InChIKey | CTANNMFXYYVOPK-FXDBZKHDSA-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 | 23sXN5AqguW |
|---|---|
| Name | Pentanoic acid, 1-adamantylmethyl 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/c1-2-3-4-15(17)18-11-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,2-11H2,1H3/t12-,13+,14-,16- |
| InChIKey | CTANNMFXYYVOPK-FXDBZKHDSA-N |
| Molecular Weight | 250.382 g/mol |
| SMILES | [C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])COC(=O)CCCC)[H] |