| SpectraBase Compound ID | DhmuEpl21ZQ |
|---|---|
| InChI | InChI=1S/C7H12O/c1-6(2)4-5-7(3)8/h4-6H,1-3H3/b5-4+ |
| InChIKey | IYMKNYVCXUEFJE-SNAWJCMRSA-N |
| Mol Weight | 112.17 g/mol |
| Molecular Formula | C7H12O |
| Exact Mass | 112.088815 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6G6T2sS5yl4 |
|---|---|
| Name | 3-HEXEN-2-ONE, 5-METHYL- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c1-6(2)4-5-7(3)8/h4-6H,1-3H3/b5-4+ |
| InChIKey | IYMKNYVCXUEFJE-SNAWJCMRSA-N |
| Molecular Weight | 112.0885 |
| SMILES | CC(\C=C\C(C)C)=O |
| SPLASH | splash10-0006-9000000000-01e3418797692971c811 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |