| SpectraBase Compound ID | 446ublXdInE |
|---|---|
| InChI | InChI=1S/C7H12O/c1-3-4-5-7(2)6-8/h5-6H,3-4H2,1-2H3/b7-5+ |
| InChIKey | BRLKFSODKAIVGM-FNORWQNLSA-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 | 17a1Ehr0vTv |
|---|---|
| Name | 2-HEXENAL, 2-METHYL- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c1-3-4-5-7(2)6-8/h5-6H,3-4H2,1-2H3/b7-5+ |
| InChIKey | BRLKFSODKAIVGM-FNORWQNLSA-N |
| Molecular Weight | 112.0885 |
| SMILES | CCC\C=C\(C=O)C |
| SPLASH | splash10-0a6u-9000000000-58c48559950c0382138c |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |