| SpectraBase Compound ID | KC28GRRxgsg |
|---|---|
| InChI | InChI=1S/C9H16O/c1-5-7(2)8(3)6-9(4)10/h6-7H,5H2,1-4H3/b8-6+ |
| InChIKey | YUDLCGLDGITZFO-SOFGYWHQSA-N |
| Mol Weight | 140.23 g/mol |
| Molecular Formula | C9H16O |
| Exact Mass | 140.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LOzFWzl0aZs |
|---|---|
| Name | (E)-4,5-Dimethylhept-3-en-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.120115134 u |
| Formula | C9H16O |
| InChI | InChI=1S/C9H16O/c1-5-7(2)8(3)6-9(4)10/h6-7H,5H2,1-4H3/b8-6+ |
| InChIKey | YUDLCGLDGITZFO-SOFGYWHQSA-N |
| Molecular Weight | 140.226 g/mol |
| SMILES | C(\C(=C\C(=O)C)C)(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980364 |