| SpectraBase Compound ID | IH2LTaZrAPt |
|---|---|
| InChI | InChI=1S/C9H14O/c1-8-5-3-2-4-6-9(10)7-8/h7H,2-6H2,1H3/b8-7- |
| InChIKey | DQNITPAKMJGDGA-FPLPWBNLSA-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 | 5yaSxngCMgE |
|---|---|
| Name | 2-Cycloocten-1-one, 3-methyl- |
| 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/c1-8-5-3-2-4-6-9(10)7-8/h7H,2-6H2,1H3/b8-7- |
| InChIKey | DQNITPAKMJGDGA-FPLPWBNLSA-N |
| Molecular Weight | 138.210 g/mol |
| SMILES | C\C1=C\C(CCCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977522 |