SpectraBase Compound ID | Dh5wZZYS75m |
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InChI | InChI=1S/C11H18O/c1-3-11(9-10(2)12)7-5-4-6-8-11/h3H,1,4-9H2,2H3 |
InChIKey | DSOVLWLFZGUUSW-UHFFFAOYSA-N |
Mol Weight | 166.26 g/mol |
Molecular Formula | C11H18O |
Exact Mass | 166.135765 g/mol |
SpectraBase Spectrum ID | C7KdsHDOlIf |
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Name | 1-(1-Ethenylcyclohexyl)-2-propanone |
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/c1-3-11(9-10(2)12)7-5-4-6-8-11/h3H,1,4-9H2,2H3 |
InChIKey | DSOVLWLFZGUUSW-UHFFFAOYSA-N |
Molecular Weight | 166.264 g/mol |
SMILES | C1(C=C)(CC(=O)C)CCCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.841782 |