| SpectraBase Compound ID | 8nkmYrCKGx0 |
|---|---|
| InChI | InChI=1S/C8H7BrCl2/c1-8(10,11)6-3-2-4-7(9)5-6/h2-5H,1H3 |
| InChIKey | QKCVLOKNINOJMR-UHFFFAOYSA-N |
| Mol Weight | 253.95 g/mol |
| Molecular Formula | C8H7BrCl2 |
| Exact Mass | 251.910819 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HBzUyxczCzl |
|---|---|
| Name | 1-Bromo-3-(1,1-dichloroethyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.910818625 u |
| Formula | C8H7BrCl2 |
| InChI | InChI=1S/C8H7BrCl2/c1-8(10,11)6-3-2-4-7(9)5-6/h2-5H,1H3 |
| InChIKey | QKCVLOKNINOJMR-UHFFFAOYSA-N |
| Molecular Weight | 253.954 g/mol |
| SMILES | C(C1=CC(Br)=CC=C1)(Cl)(Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.832644 |