| SpectraBase Compound ID | 9fiyMTBlYMe |
|---|---|
| InChI | InChI=1S/C9H14O/c1-7(2)8-5-3-4-6-9(8)10/h3-6H2,1-2H3 |
| InChIKey | MMTBDIDPDFBJIC-UHFFFAOYSA-N |
| Mol Weight | 138.21 g/mol |
| Molecular Formula | C9H14O |
| Exact Mass | 138.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1X38qiQkYf7 |
|---|---|
| Name | Cyclohexanone, 2-(1-methylethylidene)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.104465070 u |
| Formula | C9H14O |
| InChI | InChI=1S/C9H14O/c1-7(2)8-5-3-4-6-9(8)10/h3-6H2,1-2H3 |
| InChIKey | MMTBDIDPDFBJIC-UHFFFAOYSA-N |
| Molecular Weight | 138.210 g/mol |
| SMILES | CC(C)=C1C(=O)CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.884235 |