![4-Chloro-6-oxabicyclo[3.2.1]octan-7-one](/api/spectrum/6lkJCm6i9Ps/structure.png?h=300&w=458 "4-Chloro-6-oxabicyclo[3.2.1]octan-7-one")
| SpectraBase Compound ID | CNsPe6jaAQC |
|---|---|
| InChI | InChI=1S/C7H9ClO2/c8-5-2-1-4-3-6(5)10-7(4)9/h4-6H,1-3H2 |
| InChIKey | LGONVOHWWMJMQN-UHFFFAOYSA-N |
| Mol Weight | 160.6 g/mol |
| Molecular Formula | C7H9ClO2 |
| Exact Mass | 160.029107 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6lkJCm6i9Ps |
|---|---|
| Name | 4-Chloro-6-oxabicyclo[3.2.1]octan-7-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.029107228 u |
| Formula | C7H9ClO2 |
| InChI | InChI=1S/C7H9ClO2/c8-5-2-1-4-3-6(5)10-7(4)9/h4-6H,1-3H2 |
| InChIKey | LGONVOHWWMJMQN-UHFFFAOYSA-N |
| Molecular Weight | 160.600 g/mol |
| SMILES | C1(OC2C(CCC1C2)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963031 |