![7,7-Dichloro-3-oxabicyclo[3.3.0]octane](/api/spectrum/81OGfBj9sy1/structure.png?h=300&w=458 "7,7-Dichloro-3-oxabicyclo[3.3.0]octane")
| SpectraBase Compound ID | H9roHCn599p |
|---|---|
| InChI | InChI=1S/C7H10Cl2O/c8-7(9)1-5-3-10-4-6(5)2-7/h5-6H,1-4H2 |
| InChIKey | UVMFCMPKWLFRBM-UHFFFAOYSA-N |
| Mol Weight | 181.06 g/mol |
| Molecular Formula | C7H10Cl2O |
| Exact Mass | 180.01087 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 81OGfBj9sy1 |
|---|---|
| Name | 7,7-Dichloro-3-oxabicyclo[3.3.0]octane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.010870341 u |
| Formula | C7H10Cl2O |
| InChI | InChI=1S/C7H10Cl2O/c8-7(9)1-5-3-10-4-6(5)2-7/h5-6H,1-4H2 |
| InChIKey | UVMFCMPKWLFRBM-UHFFFAOYSA-N |
| Molecular Weight | 181.062 g/mol |
| SMILES | C1(CC2COCC2C1)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938568 |