| SpectraBase Compound ID | JBdhCvRtqrN |
|---|---|
| InChI | InChI=1S/C11H18O/c1-9-5-4-6-11(3,7-9)8-10(2)12/h1,4-8H2,2-3H3 |
| InChIKey | WYLSBOPRCSMRHP-UHFFFAOYSA-N |
| Mol Weight | 166.26 g/mol |
| Molecular Formula | C11H18O |
| Exact Mass | 166.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JD6AosBdMfu |
|---|---|
| Name | 2-Propanone, 1-(1-methyl-3-methylenecyclohexyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.135765199 u |
| Formula | C11H18O |
| InChI | InChI=1S/C11H18O/c1-9-5-4-6-11(3,7-9)8-10(2)12/h1,4-8H2,2-3H3 |
| InChIKey | WYLSBOPRCSMRHP-UHFFFAOYSA-N |
| Molecular Weight | 166.264 g/mol |
| SMILES | C1(CC(=C)CCC1)(CC(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965946 |