| SpectraBase Compound ID | A5imleiP0sC |
|---|---|
| InChI | InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3 |
| InChIKey | AYJXHIDNNLJQDT-UHFFFAOYSA-N |
| Mol Weight | 152.19 g/mol |
| Molecular Formula | C9H12O2 |
| Exact Mass | 152.08373 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BrPHngf11xo |
|---|---|
| Name | Ketoisophorone |
| CAS Registry Number | 1125-21-9 |
| 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 |
| Molecular Weight | 152.193 g/mol |
| SMILES | CC1=CC(=O)CC(C1=O)(C)C |
| SPLASH | splash10-0fr2-9200000000-8a9ef41aa35080fa19d1 |
| Source of Spectrum | PR-722-0-0 |
| Synonyms | 2,6,6-Trimethyl-2-cyclohexene-1,4-dione 2-Cyclohexene-1,4-dione, 2,6,6-trimethyl- 2,6,6-trimethylcyclohex-2-ene-1,4-dione 2,6,6-trimethylcyclohex-2-ene-1,4-quinone 3,5,5-Trimethylcyclohex-2-en-1,4-dione 3,5,5-trimethyl-2-cyclohexene-1,4-dione 4-Ketoisophorone 4-Oxo-.alpha.-isophorone 4-Oxoisophorone 6-Oxoisophorone keto-Isophorone Oxopholone Oxophorone EINECS 214-406-2 FEMA NO. 3421 |
| Wiley ID | 1149129 |