![3-Bromo-5-chlorobicyclo[5.3.0]hepta-1(7),3,5-triene](/api/spectrum/6BTArEpnLTZ/structure.png?h=300&w=458 "3-Bromo-5-chlorobicyclo[5.3.0]hepta-1(7),3,5-triene")
| SpectraBase Compound ID | 52l2649was9 |
|---|---|
| InChI | InChI=1S/C10H10BrCl/c11-9-4-7-2-1-3-8(7)5-10(12)6-9/h5-6H,1-4H2 |
| InChIKey | ASHFWTVWSVYWNF-UHFFFAOYSA-N |
| Mol Weight | 245.55 g/mol |
| Molecular Formula | C10H10BrCl |
| Exact Mass | 243.965441 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6BTArEpnLTZ |
|---|---|
| Name | 3-Bromo-5-chlorobicyclo[5.3.0]hepta-1(7),3,5-triene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.965441022 u |
| Formula | C10H10BrCl |
| InChI | InChI=1S/C10H10BrCl/c11-9-4-7-2-1-3-8(7)5-10(12)6-9/h5-6H,1-4H2 |
| InChIKey | ASHFWTVWSVYWNF-UHFFFAOYSA-N |
| Molecular Weight | 245.547 g/mol |
| SMILES | C12=C(CC(Br)=CC(=C2)Cl)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.915872 |