| SpectraBase Compound ID | 1np7hT7cfy6 |
|---|---|
| InChI | InChI=1S/C16H26O2/c1-3-4-11(2)18-15(17)16-8-12-5-13(9-16)7-14(6-12)10-16/h11-14H,3-10H2,1-2H3/t11?,12-,13+,14-,16- |
| InChIKey | HXWCHAWBHYAJCV-FJBVBYHMSA-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 | 5Ys8yOn7mTo |
|---|---|
| Name | 1-Adamantanecarboxylic acid, 2-pentyl 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/c1-3-4-11(2)18-15(17)16-8-12-5-13(9-16)7-14(6-12)10-16/h11-14H,3-10H2,1-2H3/t11?,12-,13+,14-,16- |
| InChIKey | HXWCHAWBHYAJCV-FJBVBYHMSA-N |
| Molecular Weight | 250.382 g/mol |
| SMILES | C1[C@]2(C[C@]3(CC1(C[C@@](C2)(C3)[H])C(OC(CCC)C)=O)[H])[H] |