![5-Chloranylbicyclo[3.2.1]oct-3-en-6-one](/api/spectrum/8N2L3Bc8Rq5/structure.png?h=300&w=458 "5-Chloranylbicyclo[3.2.1]oct-3-en-6-one")
| SpectraBase Compound ID | Ues5Z4Z57 |
|---|---|
| InChI | InChI=1S/C8H9ClO/c9-8-3-1-2-6(5-8)4-7(8)10/h1,3,6H,2,4-5H2 |
| InChIKey | WBKORJHRVNSECP-UHFFFAOYSA-N |
| Mol Weight | 156.61 g/mol |
| Molecular Formula | C8H9ClO |
| Exact Mass | 156.034193 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8N2L3Bc8Rq5 |
|---|---|
| Name | 5-Chloranylbicyclo[3.2.1]oct-3-en-6-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.034192609 u |
| Formula | C8H9ClO |
| InChI | InChI=1S/C8H9ClO/c9-8-3-1-2-6(5-8)4-7(8)10/h1,3,6H,2,4-5H2 |
| InChIKey | WBKORJHRVNSECP-UHFFFAOYSA-N |
| SMILES | C12(C(CC(C2)CC=C1)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.987539 |