![Bicyclo[3.2.0]heptan-2-one, 5-methyl-](/api/spectrum/KhGUTQT48mi/structure.png?h=300&w=458 "Bicyclo[3.2.0]heptan-2-one, 5-methyl-")
| SpectraBase Compound ID | Ajl0mMKkjNT |
|---|---|
| InChI | InChI=1S/C8H12O/c1-8-4-2-6(8)7(9)3-5-8/h6H,2-5H2,1H3 |
| InChIKey | CENJLQWZLXMSIR-UHFFFAOYSA-N |
| Mol Weight | 124.18 g/mol |
| Molecular Formula | C8H12O |
| Exact Mass | 124.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KhGUTQT48mi |
|---|---|
| Name | Bicyclo[3.2.0]heptan-2-one, 5-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.088815005 u |
| Formula | C8H12O |
| InChI | InChI=1S/C8H12O/c1-8-4-2-6(8)7(9)3-5-8/h6H,2-5H2,1H3 |
| InChIKey | CENJLQWZLXMSIR-UHFFFAOYSA-N |
| Molecular Weight | 124.183 g/mol |
| SMILES | C12(CCC(C2CC1)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89734 |