SpectraBase Compound ID | 6G058bTjCLn |
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InChI | InChI=1S/C3H4BrClF2O/c1-8-3(6,7)2(4)5/h2H,1H3 |
InChIKey | ZKWXMJRVJFRBFP-UHFFFAOYSA-N |
Mol Weight | 209.42 g/mol |
Molecular Formula | C3H4BrClF2O |
Exact Mass | 207.910212 g/mol |
SpectraBase Spectrum ID | Kfstc66ZJSf |
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Name | Ethane, 2-bromo-2-chloro-1,1-difluoro-1-methoxy- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 207.910211774 u |
Formula | C3H4BrClF2O |
InChI | InChI=1S/C3H4BrClF2O/c1-8-3(6,7)2(4)5/h2H,1H3 |
InChIKey | ZKWXMJRVJFRBFP-UHFFFAOYSA-N |
Molecular Weight | 209.418 g/mol |
SMILES | C(C(OC)(F)F)(Br)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.863639 |