| 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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 12Dsj6Qtz4J |
|---|---|
| Name | 2-Hexenal, 2-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 112.088815005 u |
| 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 | 112.172 g/mol |
| SMILES | C\C(=C/CCC)C=O |