| SpectraBase Compound ID | 5mcFhjtyqYA |
|---|---|
| InChI | InChI=1S/C11H18O/c1-9(2)8-10-6-4-3-5-7-11(10)12/h8-9H,3-7H2,1-2H3/b10-8- |
| InChIKey | MHQDLQFRCGNIQV-NTMALXAHSA-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 | 6Y599Rxfmw7 |
|---|---|
| Name | Cycloheptanone, 2-(2-methylpropylidene)- |
| 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(2)8-10-6-4-3-5-7-11(10)12/h8-9H,3-7H2,1-2H3/b10-8- |
| InChIKey | MHQDLQFRCGNIQV-NTMALXAHSA-N |
| Molecular Weight | 166.264 g/mol |
| SMILES | CC(\C=C\1CCCCCC1=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.986839 |