![5-( Cyclohex-1'-en-1'-yl]-pentan-3-one](/api/spectrum/DTL25HmkI2o/structure.png?h=300&w=458 "5-( Cyclohex-1'-en-1'-yl]-pentan-3-one")
| SpectraBase Compound ID | HzgFW6qpya0 |
|---|---|
| InChI | InChI=1S/C11H18O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h6H,2-5,7-9H2,1H3 |
| InChIKey | OVVXXPFFZBPAIH-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 | DTL25HmkI2o |
|---|---|
| Name | 5-( Cyclohex-1'-en-1'-yl]-pentan-3-one |
| 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/c1-2-11(12)9-8-10-6-4-3-5-7-10/h6H,2-5,7-9H2,1H3 |
| InChIKey | OVVXXPFFZBPAIH-UHFFFAOYSA-N |
| Molecular Weight | 166.264 g/mol |
| SMILES | C1(=CCCCC1)CCC(=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.986313 |