| SpectraBase Compound ID | CWCRpWCcIJs |
|---|---|
| InChI | InChI=1S/C8H12O/c1-6-4-8(2,3)5-7(6)9/h4H,5H2,1-3H3 |
| InChIKey | XDJBXCQPXSFIML-UHFFFAOYSA-N |
| Mol Weight | 124.18 g/mol |
| Molecular Formula | C8H12O |
| Exact Mass | 124.088815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ClSxQR7mO55 |
|---|---|
| Name | 2,4,4-trimethylcyclopent-2-en-1-one |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C8H12O |
| InChI | InChI=1S/C8H12O/c1-6-4-8(2,3)5-7(6)9/h4H,5H2,1-3H3 |
| InChIKey | XDJBXCQPXSFIML-UHFFFAOYSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 124.183 g/mol |
| Source File Reference | MHKO1998 |