| SpectraBase Compound ID | 1JpDapqE3b5 |
|---|---|
| InChI | InChI=1S/C9H12O/c1-7-6-8(10)4-5-9(7,2)3/h4-6H,1-3H3 |
| InChIKey | XWYNZKIPFPUMPJ-UHFFFAOYSA-N |
| Mol Weight | 136.19 g/mol |
| Molecular Formula | C9H12O |
| Exact Mass | 136.088815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KptOEOSpj32 |
|---|---|
| Name | 3,4,4-trimethylcyclohexa-2,5-dien-1-one |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C9H12O |
| InChI | InChI=1S/C9H12O/c1-7-6-8(10)4-5-9(7,2)3/h4-6H,1-3H3 |
| InChIKey | XWYNZKIPFPUMPJ-UHFFFAOYSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 136.194 g/mol |
| Source File Reference | MHKO1953 |