![1,4-Dimethylbicyclo[4,2.0]octan-7-one](/api/spectrum/B03M8em2Hvu/structure.png?h=300&w=458 "1,4-Dimethylbicyclo[4,2.0]octan-7-one")
| SpectraBase Compound ID | 8guXqZq2R3h |
|---|---|
| InChI | InChI=1S/C10H16O/c1-7-3-4-10(2)6-9(11)8(10)5-7/h7-8H,3-6H2,1-2H3 |
| InChIKey | CWZAXAXPPVHGNZ-UHFFFAOYSA-N |
| Mol Weight | 152.24 g/mol |
| Molecular Formula | C10H16O |
| Exact Mass | 152.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B03M8em2Hvu |
|---|---|
| Name | 1,4-Dimethylbicyclo[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 | 152.120115134 u |
| Formula | C10H16O |
| InChI | InChI=1S/C10H16O/c1-7-3-4-10(2)6-9(11)8(10)5-7/h7-8H,3-6H2,1-2H3 |
| InChIKey | CWZAXAXPPVHGNZ-UHFFFAOYSA-N |
| Molecular Weight | 152.237 g/mol |
| SMILES | C12(C(CC(CC2)C)C(C1)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964568 |