| SpectraBase Compound ID | 9YQuKdY0WFY |
|---|---|
| InChI | InChI=1S/C11H8O/c12-11-7-5-9-3-1-2-4-10(9)6-8-11/h1-8H |
| InChIKey | VJPAMLCBTIWAHI-UHFFFAOYSA-N |
| Mol Weight | 156.18 g/mol |
| Molecular Formula | C11H8O |
| Exact Mass | 156.057515 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LbfgGMyUe2r |
|---|---|
| Name | 1,2-Benzocyclohepta-1,3,6-trien-5-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.057514877 u |
| Formula | C11H8O |
| InChI | InChI=1S/C11H8O/c12-11-7-5-9-3-1-2-4-10(9)6-8-11/h1-8H |
| InChIKey | VJPAMLCBTIWAHI-UHFFFAOYSA-N |
| Molecular Weight | 156.184 g/mol |
| SMILES | C1(=O)C=CC=2C(=CC=CC2)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.843091 |