| SpectraBase Compound ID | Fhjim13Flmk |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-4-5-6-7-12(11(3)14)9-8-10(2)13/h12H,4-9H2,1-3H3 |
| InChIKey | NIWUOXWUYSHYLE-UHFFFAOYSA-N |
| Mol Weight | 198.31 g/mol |
| Molecular Formula | C12H22O2 |
| Exact Mass | 198.16198 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 46PAVLcpvlh |
|---|---|
| Name | 3-pentylheptane-2,6-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H22O2 |
| InChI | InChI=1S/C12H22O2/c1-4-5-6-7-12(11(3)14)9-8-10(2)13/h12H,4-9H2,1-3H3 |
| InChIKey | NIWUOXWUYSHYLE-UHFFFAOYSA-N |
| Ionization Type | EI |
| Molecular Weight | 198.306 g/mol |
| SMILES | C(CC(CCCCC)C(=O)C)C(C)=O |
| SPLASH | splash10-0006-9200000000-734e80f80006fa9ccefa |
| Source of Spectrum | US20100111888A1 |
| Wiley ID | 1842234 |