![7-Bicyclo[4.2.0]octa-1,3,5-trienecarboxaldehyde](/api/spectrum/LOfCHNQTb2n/structure.png?h=300&w=458 "7-Bicyclo[4.2.0]octa-1,3,5-trienecarboxaldehyde")
| SpectraBase Compound ID | 2VOsP7uvGFy |
|---|---|
| InChI | InChI=1S/C9H8O/c10-6-8-5-7-3-1-2-4-9(7)8/h1-4,6,8H,5H2 |
| InChIKey | CAGLJCIYRHLVFP-UHFFFAOYSA-N |
| Mol Weight | 132.16 g/mol |
| Molecular Formula | C9H8O |
| Exact Mass | 132.057515 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LOfCHNQTb2n |
|---|---|
| Name | 7-Bicyclo[4.2.0]octa-1,3,5-trienecarboxaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 132.057514877 u |
| Formula | C9H8O |
| InChI | InChI=1S/C9H8O/c10-6-8-5-7-3-1-2-4-9(7)8/h1-4,6,8H,5H2 |
| InChIKey | CAGLJCIYRHLVFP-UHFFFAOYSA-N |
| Molecular Weight | 132.162 g/mol |
| SMILES | C1=2C(=CC=CC2)C(C1)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939375 |