| SpectraBase Compound ID | H8gykpODHNa |
|---|---|
| InChI | InChI=1S/C8H14O/c1-5-8(9)7(4)6(2)3/h5H2,1-4H3 |
| InChIKey | CDMNXIBTIAFPBU-UHFFFAOYSA-N |
| Mol Weight | 126.2 g/mol |
| Molecular Formula | C8H14O |
| Exact Mass | 126.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IE9EWJCQMNX |
|---|---|
| Name | 4-Hexen-3-one, 4,5-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.104465070 u |
| Formula | C8H14O |
| InChI | InChI=1S/C8H14O/c1-5-8(9)7(4)6(2)3/h5H2,1-4H3 |
| InChIKey | CDMNXIBTIAFPBU-UHFFFAOYSA-N |
| Molecular Weight | 126.199 g/mol |
| SMILES | C(C(=C(C)C)C)(CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.876429 |