![1-( Cyclohex-1'-en-1'-yl]-octan-3-one](/api/spectrum/ign6fUkaxh/structure.png?h=300&w=458 "1-( Cyclohex-1'-en-1'-yl]-octan-3-one")
| SpectraBase Compound ID | HGehSB3pxMq |
|---|---|
| InChI | InChI=1S/C14H24O/c1-2-3-5-10-14(15)12-11-13-8-6-4-7-9-13/h8H,2-7,9-12H2,1H3 |
| InChIKey | ITCKSAKFGSLNQE-UHFFFAOYSA-N |
| Mol Weight | 208.34 g/mol |
| Molecular Formula | C14H24O |
| Exact Mass | 208.182715 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ign6fUkaxh |
|---|---|
| Name | 1-( Cyclohex-1'-en-1'-yl]-octan-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.182715392 u |
| Formula | C14H24O |
| InChI | InChI=1S/C14H24O/c1-2-3-5-10-14(15)12-11-13-8-6-4-7-9-13/h8H,2-7,9-12H2,1H3 |
| InChIKey | ITCKSAKFGSLNQE-UHFFFAOYSA-N |
| Molecular Weight | 208.345 g/mol |
| SMILES | C1(=CCCCC1)CCC(=O)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966 |