| SpectraBase Compound ID | EwFBQPzULOF |
|---|---|
| InChI | InChI=1S/C10H16O/c1-2-6-9-7-4-3-5-8-10(9)11/h6H,2-5,7-8H2,1H3/b9-6+ |
| InChIKey | XKPBEYFCGGEEIX-RMKNXTFCSA-N |
| Mol Weight | 152.24 g/mol |
| Molecular Formula | C10H16O |
| Exact Mass | 152.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LVgTkdFTwRP |
|---|---|
| Name | .alpha.-Propylidenecycloheptanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.120115134 u |
| Formula | C10H16O |
| InChI | InChI=1S/C10H16O/c1-2-6-9-7-4-3-5-8-10(9)11/h6H,2-5,7-8H2,1H3/b9-6+ |
| InChIKey | XKPBEYFCGGEEIX-RMKNXTFCSA-N |
| Molecular Weight | 152.237 g/mol |
| SMILES | C1(\C(CCCCC1)=C\CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.988774 |