| SpectraBase Compound ID | w9KRnP9nhU |
|---|---|
| InChI | InChI=1S/C17H28O/c1-3-5-16(18)15(4-2)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,3-11H2,1-2H3/t12-,13+,14-,15?,17- |
| InChIKey | JIRMJOUSSANRRN-ODRUTOAPSA-N |
| Mol Weight | 248.41 g/mol |
| Molecular Formula | C17H28O |
| Exact Mass | 248.214016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Y0albdMwd9 |
|---|---|
| Name | 3-Adamantan-1-yl-heptan-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.214015521 u |
| Formula | C17H28O |
| InChI | InChI=1S/C17H28O/c1-3-5-16(18)15(4-2)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,3-11H2,1-2H3/t12-,13+,14-,15?,17- |
| InChIKey | JIRMJOUSSANRRN-ODRUTOAPSA-N |
| Molecular Weight | 248.410 g/mol |
| SMILES | C12(C(C(=O)CCC)CC)C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H] |