| SpectraBase Spectrum ID |
8EkfCIStE0f |
| Name |
3-Oxo-.alpha.-isomethylionone |
| Alternate Name(s) |
3,5,5-trimethyl-4-[(1E)-2-methyl-3-oxo-1-butenyl]-2-cyclohexen-1-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H20O2 |
| InChI |
InChI=1S/C14H20O2/c1-9(11(3)15)7-13-10(2)6-12(16)8-14(13,4)5/h6-7,13H,8H2,1-5H3/b9-7+ |
| InChIKey |
VQFSVDSZHXTBLG-VQHVLOKHSA-N |
| Molecular Weight |
220.312 g/mol |
| SMILES |
C1(\C=C\(C(=O)C)C)C(=CC(CC1(C)C)=O)C |
| SPLASH |
splash10-006x-7900000000-e158dd0cc70c0685348c |
| Source of Spectrum |
LQ-1992-186-0 |
| Wiley ID |
1220171 |
