Structure image not uploaded
FAG-CH-0102
Isophorone
| Molecular Formula | C9H14O |
|---|---|
| Molecular Weight | 139.111743 |
| CAS Number | 78-59-1 |
| PubChem CID | 6544 ↗ |
| InChIKey | HJOVHMDZYOCNQW-UHFFFAOYSA-N |
| SMILES | CC1=CC(=O)CC(C)(C)C1 |
| Category | Terpenes |
| Subclass | Carotenoids |
| Confidence Level | level2 |
Adducts: M+H | Ion mode: POS | Score: 52.2 | Frag Score: 48 | Mass Error: -1.32 ppm
External References
Found In
| Plant | Extract | Type | RT | Intensity |
|---|---|---|---|---|
| Fagonia | Fagonia Chloroform Extract | Chloroform | 7.03 | 9,145,246 |