| SpectraBase Compound ID | Er4WHJmfa6X |
|---|---|
| InChI | InChI=1S/C12H18O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h6,8,10H,2-5,7,9H2,1H3/b10-6- |
| InChIKey | FGLJMQZCYIUWSI-POHAHGRESA-N |
| Mol Weight | 178.27 g/mol |
| Molecular Formula | C12H18O |
| Exact Mass | 178.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DrZEmv5HIwv |
|---|---|
| Name | (Z)-6-(Cyclohexenyl)hex-5-en-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.135765199 u |
| Formula | C12H18O |
| InChI | InChI=1S/C12H18O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h6,8,10H,2-5,7,9H2,1H3/b10-6- |
| InChIKey | FGLJMQZCYIUWSI-POHAHGRESA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | C1(\C=C/CCC(=O)C)=CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957355 |