| SpectraBase Compound ID | C8ofiVK79Uh |
|---|---|
| InChI | InChI=1S/C11H16O/c12-11-7-6-9-4-2-1-3-5-10(9)8-11/h8-9H,1-7H2 |
| InChIKey | GWGBQUOWRUBYTJ-UHFFFAOYSA-N |
| Mol Weight | 164.25 g/mol |
| Molecular Formula | C11H16O |
| Exact Mass | 164.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DuepMfUuZoh |
|---|---|
| Name | 2H-Benzocyclohepten-2-one, 3,4,4A,5,6,7,8,9-octahydro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.120115134 u |
| Formula | C11H16O |
| InChI | InChI=1S/C11H16O/c12-11-7-6-9-4-2-1-3-5-10(9)8-11/h8-9H,1-7H2 |
| InChIKey | GWGBQUOWRUBYTJ-UHFFFAOYSA-N |
| Molecular Weight | 164.248 g/mol |
| SMILES | C1(=O)C=C2CCCCCC2CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.808733 |