| SpectraBase Compound ID | KMeuqodvgHd |
|---|---|
| InChI | InChI=1S/C15H22O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h5,12-13H,1,6-9H2,2-4H3/b11-5-/t12-,13-/m1/s1 |
| InChIKey | UVPVOJNEDSOAHT-WNIKWDQDSA-N |
| Mol Weight | 218.34 g/mol |
| Molecular Formula | C15H22O |
| Exact Mass | 218.167065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 96zLAqSOReK |
|---|---|
| Name | Caryophylla-2(12),6-dien-5-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.167065327 u |
| Formula | C15H22O |
| InChI | InChI=1S/C15H22O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h5,12-13H,1,6-9H2,2-4H3/b11-5-/t12-,13-/m1/s1 |
| InChIKey | UVPVOJNEDSOAHT-WNIKWDQDSA-N |
| Molecular Weight | 218.340 g/mol |
| SMILES | [C@]12([C@](C\C=C\(C)C(CCC2=C)=O)([H])C(C1)(C)C)[H] |