SpectraBase Compound ID | 9IYl5rEwMS |
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InChI | InChI=1S/C4H6Br2Cl2/c5-3(1-7)4(6)2-8/h3-4H,1-2H2 |
InChIKey | FPPZFTLHBVZMCA-UHFFFAOYSA-N |
Mol Weight | 284.81 g/mol |
Molecular Formula | C4H6Br2Cl2 |
Exact Mass | 281.821332 g/mol |
SpectraBase Spectrum ID | 6FOnYcKI1bF |
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Name | 2,3-Dibromo-1,4-dichlorobutane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 281.821331593 u |
Formula | C4H6Br2Cl2 |
InChI | InChI=1S/C4H6Br2Cl2/c5-3(1-7)4(6)2-8/h3-4H,1-2H2 |
InChIKey | FPPZFTLHBVZMCA-UHFFFAOYSA-N |
Molecular Weight | 284.806 g/mol |
SMILES | C(Cl)C(C(CCl)Br)Br |
Spectrum/Structure Validation Score (Raman) | 0.905431 |