| SpectraBase Compound ID | AKfAPy1zhVQ |
|---|---|
| InChI | InChI=1S/C9H16O/c1-8(2)6-4-5-7-9(3)10/h6H,4-5,7H2,1-3H3 |
| InChIKey | GHJLLLILWMDFDE-UHFFFAOYSA-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 | 2SdjcRDVsLT |
|---|---|
| Name | 7-Methyloct-6-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/c1-8(2)6-4-5-7-9(3)10/h6H,4-5,7H2,1-3H3 |
| InChIKey | GHJLLLILWMDFDE-UHFFFAOYSA-N |
| Molecular Weight | 140.226 g/mol |
| SMILES | CC(CCCC=C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.987835 |