| SpectraBase Compound ID | 8VL1GdLcr09 |
|---|---|
| InChI | InChI=1S/C8H12O/c1-5-7(9)8(3,4)6-2/h5-6H,1-2H2,3-4H3 |
| InChIKey | JFPXUANVFISIBZ-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 | 9jZUotQU4U9 |
|---|---|
| Name | 4,4-Dimethyl-3-hexa-1,5-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/c1-5-7(9)8(3,4)6-2/h5-6H,1-2H2,3-4H3 |
| InChIKey | JFPXUANVFISIBZ-UHFFFAOYSA-N |
| Molecular Weight | 124.183 g/mol |
| SMILES | C(C(C=C)=O)(C=C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.895934 |