| SpectraBase Compound ID | ATtUVAC1W2s |
|---|---|
| InChI | InChI=1S/C11H10O/c12-11-7-5-9-3-1-2-4-10(9)6-8-11/h1-5,7H,6,8H2 |
| InChIKey | WEUZOPCONXLPEE-UHFFFAOYSA-N |
| Mol Weight | 158.2 g/mol |
| Molecular Formula | C11H10O |
| Exact Mass | 158.073165 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IGKjbUvzFPk |
|---|---|
| Name | 8,9-Dihydrobenzocyclohepten-7-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.073164941 u |
| Formula | C11H10O |
| InChI | InChI=1S/C11H10O/c12-11-7-5-9-3-1-2-4-10(9)6-8-11/h1-5,7H,6,8H2 |
| InChIKey | WEUZOPCONXLPEE-UHFFFAOYSA-N |
| Molecular Weight | 158.200 g/mol |
| SMILES | C1=CC(=O)CCC2=C1C=CC=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910465 |