![(1R,6S)-6-methylbicyclo[4.2.0]octan-2-one](/api/spectrum/4WehvR5AxHD/structure.png?h=300&w=458 "(1R,6S)-6-methylbicyclo[4.2.0]octan-2-one")
| SpectraBase Compound ID | 91IFCbZ4VFA |
|---|---|
| InChI | InChI=1S/C9H14O/c1-9-5-2-3-8(10)7(9)4-6-9/h7H,2-6H2,1H3/t7-,9-/m0/s1 |
| InChIKey | FWTMYKRBOCLDKB-CBAPKCEASA-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 | 4WehvR5AxHD |
|---|---|
| Name | (1R,6S)-6-Methylbicyclo[4.2.0]octan-2-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/c1-9-5-2-3-8(10)7(9)4-6-9/h7H,2-6H2,1H3/t7-,9-/m0/s1 |
| InChIKey | FWTMYKRBOCLDKB-CBAPKCEASA-N |
| Molecular Weight | 138.210 g/mol |
| SMILES | [C@@]12([C@](CCCC2=O)(C)CC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.920416 |