| SpectraBase Compound ID | Ch5qKajCvFi |
|---|---|
| InChI | InChI=1S/C11H16O/c1-11(8-7-10(11)12)9-5-3-2-4-6-9/h5H,2-4,6-8H2,1H3 |
| InChIKey | PPQURGOXWFYBQR-UHFFFAOYSA-N |
| Mol Weight | 164.25 g/mol |
| Molecular Formula | C11H16O |
| Exact Mass | 164.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | D7E8SDBrseM |
|---|---|
| Name | 2-(1-Cyclohexenyl)-2-methyl-1-cyclobutanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.120115134 u |
| Formula | C11H16O |
| InChI | InChI=1S/C11H16O/c1-11(8-7-10(11)12)9-5-3-2-4-6-9/h5H,2-4,6-8H2,1H3 |
| InChIKey | PPQURGOXWFYBQR-UHFFFAOYSA-N |
| Molecular Weight | 164.248 g/mol |
| SMILES | C1(C2=CCCCC2)(C(=O)CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.845813 |