| SpectraBase Compound ID | ClwX0E72fmw |
|---|---|
| InChI | InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3 |
| InChIKey | HJOVHMDZYOCNQW-UHFFFAOYSA-N |
| Mol Weight | 138.21 g/mol |
| Molecular Formula | C9H14O |
| Exact Mass | 138.104465 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EQwFyvUNzHe |
|---|---|
| Name | 3,5,5-Trimethyl-2-cyclohexenone |
| Comments | MONAID: JP006059 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H14O |
| InChI | InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3 |
| InChIKey | HJOVHMDZYOCNQW-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 138.210 g/mol |
| SMILES | CC1=CC(CC(C1)(C)C)=O |
| SPLASH | splash10-001i-9200000000-b2e5988d43d220937e51 |
| Source of Spectrum | SRH-2022-6059-0 |
| Synonyms | Isophorone |
| Wiley ID | 1828001 |