| SpectraBase Spectrum ID |
D9UTtoZ4K5Y |
| Name |
2,6,6-Trimethyl-2-cyclohexene-1,4-dione |
| Alternate Name(s) |
4-ketoisophorone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H12O2 |
| InChI |
InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3 |
| InChIKey |
AYJXHIDNNLJQDT-UHFFFAOYSA-N |
| Instrument Name |
HP 5890 Series II-5972 or Varian CP 3800-Saturn 2200 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jsfa.3679 |
| Molecular Weight |
152.193 g/mol |
| SMILES |
C1(C(=CC(CC1(C)C)=O)C)=O |
| SPLASH |
splash10-014j-9200000000-264110b120119ef93a09 |
| Source of Spectrum |
SFA-89-1953-7 |
| Wiley ID |
1840261 |
