SpectraBase Compound ID | 2hnCnLvQq1 |
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InChI | InChI=1S/C3H4BrClF2/c1-3(6,7)2(4)5/h2H,1H3 |
InChIKey | ZASIITYHGCXAIU-UHFFFAOYSA-N |
Mol Weight | 193.42 g/mol |
Molecular Formula | C3H4BrClF2 |
Exact Mass | 191.915297 g/mol |
SpectraBase Spectrum ID | 65BOY9D3wb1 |
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Name | 1-Bromanyl-1-chloranyl-2,2-bis(fluoranyl)propane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 191.915297155 u |
Formula | C3H4BrClF2 |
InChI | InChI=1S/C3H4BrClF2/c1-3(6,7)2(4)5/h2H,1H3 |
InChIKey | ZASIITYHGCXAIU-UHFFFAOYSA-N |
Molecular Weight | 193.419 g/mol |
SMILES | C(C(Br)Cl)(F)(F)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.85778 |