| 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 | 1Juql0YSxs |
|---|---|
| Name | Oxoisophorone |
| 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 |
| Ionization Type | EI |
| Molecular Weight | 152.193 g/mol |
| SMILES | C1(=O)C(C)=CC(=O)CC1(C)C |
| SPLASH | splash10-0gba-9300000000-62731bfe4191c5131179 |
| Source of Spectrum | CN101143810B |
| Wiley ID | 1841423 |