![6-Methyl-bicyclo[4.2.0]octan-7-one](/api/spectrum/If8APEe84Hc/structure.png?h=300&w=458 "6-Methyl-bicyclo[4.2.0]octan-7-one")
| SpectraBase Compound ID | 2BSvFdr92Z4 |
|---|---|
| InChI | InChI=1S/C9H14O/c1-9-5-3-2-4-7(9)6-8(9)10/h7H,2-6H2,1H3 |
| InChIKey | DHDITCARYPKJRW-UHFFFAOYSA-N |
| Mol Weight | 138.21 g/mol |
| Molecular Formula | C9H14O |
| Exact Mass | 138.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | If8APEe84Hc |
|---|---|
| Name | 6-Methyl-bicyclo[4.2.0]octan-7-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.104465070 u |
| Formula | C9H14O |
| InChI | InChI=1S/C9H14O/c1-9-5-3-2-4-7(9)6-8(9)10/h7H,2-6H2,1H3 |
| InChIKey | DHDITCARYPKJRW-UHFFFAOYSA-N |
| Molecular Weight | 138.210 g/mol |
| SMILES | C12CCCCC2(C)C(C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952251 |