| SpectraBase Compound ID | B4bdOGevoiu |
|---|---|
| InChI | InChI=1S/C8H12O/c1-4-8(9)6-5-7(2)3/h4H,1-2,5-6H2,3H3 |
| InChIKey | FZTKOXBDJNTWKI-UHFFFAOYSA-N |
| Mol Weight | 124.18 g/mol |
| Molecular Formula | C8H12O |
| Exact Mass | 124.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 53n1p4hh6ZG |
|---|---|
| Name | 6-Methyl-3-hepta-1,6-dienone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.088815005 u |
| Formula | C8H12O |
| InChI | InChI=1S/C8H12O/c1-4-8(9)6-5-7(2)3/h4H,1-2,5-6H2,3H3 |
| InChIKey | FZTKOXBDJNTWKI-UHFFFAOYSA-N |
| Molecular Weight | 124.183 g/mol |
| SMILES | C(=C)(CCC(C=C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.831569 |