![7-Methyl-8-bicyclo[4.2.0]oct-4-enone](/api/spectrum/4W8JO7vhOxQ/structure.png?h=300&w=458 "7-Methyl-8-bicyclo[4.2.0]oct-4-enone")
| SpectraBase Compound ID | aCn5y9g36M |
|---|---|
| InChI | InChI=1S/C9H12O/c1-6-7-4-2-3-5-8(7)9(6)10/h2,4,6-8H,3,5H2,1H3 |
| InChIKey | BXTCOZIQDQFQAX-UHFFFAOYSA-N |
| Mol Weight | 136.19 g/mol |
| Molecular Formula | C9H12O |
| Exact Mass | 136.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4W8JO7vhOxQ |
|---|---|
| Name | 7-Methyl-8-bicyclo[4.2.0]oct-4-enone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 136.088815005 u |
| Formula | C9H12O |
| InChI | InChI=1S/C9H12O/c1-6-7-4-2-3-5-8(7)9(6)10/h2,4,6-8H,3,5H2,1H3 |
| InChIKey | BXTCOZIQDQFQAX-UHFFFAOYSA-N |
| Molecular Weight | 136.194 g/mol |
| SMILES | C1(C2CCC=CC2C1C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.801571 |