![5-Chlorobicyclo[2.2.1]heptan-2-one](/api/spectrum/FROdff95cBG/structure.png?h=300&w=458 "5-Chlorobicyclo[2.2.1]heptan-2-one")
| SpectraBase Compound ID | 2OFoLnHMuuO |
|---|---|
| InChI | InChI=1S/C7H9ClO/c8-6-2-5-1-4(6)3-7(5)9/h4-6H,1-3H2/t4-,5-,6?/m1/s1 |
| InChIKey | YYFGEYMYTJLYJT-QYRBDRAASA-N |
| Mol Weight | 144.6 g/mol |
| Molecular Formula | C7H9ClO |
| Exact Mass | 144.034193 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FROdff95cBG |
|---|---|
| Name | 5-Chlorobicyclo[2.2.1]heptan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.034192609 u |
| Formula | C7H9ClO |
| InChI | InChI=1S/C7H9ClO/c8-6-2-5-1-4(6)3-7(5)9/h4-6H,1-3H2/t4-,5-,6?/m1/s1 |
| InChIKey | YYFGEYMYTJLYJT-QYRBDRAASA-N |
| Molecular Weight | 144.601 g/mol |
| SMILES | C1([C@@]2(C[C@](C1)(C(Cl)C2)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.879357 |