| SpectraBase Compound ID | 2KSsCxmldMt |
|---|---|
| InChI | InChI=1S/C12H18O/c1-9-4-6-12(7-5-9)10(2)8-11(3)13/h4,8,12H,5-7H2,1-3H3/b10-8+ |
| InChIKey | SSDLCRAPQKJETK-CSKARUKUSA-N |
| Mol Weight | 178.27 g/mol |
| Molecular Formula | C12H18O |
| Exact Mass | 178.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DOYDfscV1lf |
|---|---|
| Name | Vestitenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.135765199 u |
| Formula | C12H18O |
| InChI | InChI=1S/C12H18O/c1-9-4-6-12(7-5-9)10(2)8-11(3)13/h4,8,12H,5-7H2,1-3H3/b10-8+ |
| InChIKey | SSDLCRAPQKJETK-CSKARUKUSA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | CC(\C=C/(C)C1CC=C(CC1)C)=O |