| SpectraBase Compound ID | 9fSIckYaTIs |
|---|---|
| InChI | InChI=1S/C7H12O/c1-4-6(3)7(8)5-2/h5-6H,2,4H2,1,3H3 |
| InChIKey | PVBVVELBGISLBX-UHFFFAOYSA-N |
| Mol Weight | 112.17 g/mol |
| Molecular Formula | C7H12O |
| Exact Mass | 112.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4Wb4qeM3SJ1 |
|---|---|
| Name | 4-Methyl-1-hexen-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 112.088815005 u |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c1-4-6(3)7(8)5-2/h5-6H,2,4H2,1,3H3 |
| InChIKey | PVBVVELBGISLBX-UHFFFAOYSA-N |
| Molecular Weight | 112.172 g/mol |
| SMILES | C(=O)(C=C)C(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.833249 |