| SpectraBase Compound ID | 48WWQwvmfKk |
|---|---|
| InChI | InChI=1S/C8H8BrCl/c1-5-3-7(10)4-6(2)8(5)9/h3-4H,1-2H3 |
| InChIKey | CFMPIQSLDJXNPD-UHFFFAOYSA-N |
| Mol Weight | 219.51 g/mol |
| Molecular Formula | C8H8BrCl |
| Exact Mass | 217.949791 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6PYdCzewksE |
|---|---|
| Name | 1-Bromo-4-chloro-meta-xylene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.949790958 u |
| Formula | C8H8BrCl |
| InChI | InChI=1S/C8H8BrCl/c1-5-3-7(10)4-6(2)8(5)9/h3-4H,1-2H3 |
| InChIKey | CFMPIQSLDJXNPD-UHFFFAOYSA-N |
| Molecular Weight | 219.509 g/mol |
| SMILES | C1(Br)=C(C=C(C=C1C)Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.832197 |