SpectraBase Compound ID | 88ZicfGabIo |
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InChI | InChI=1S/C6H10BrF2NO/c1-3-10(4-2)5(11)6(7,8)9/h3-4H2,1-2H3 |
InChIKey | BOHBJODHDSWYFG-UHFFFAOYSA-N |
Mol Weight | 230.05 g/mol |
Molecular Formula | C6H10BrF2NO |
Exact Mass | 228.991383 g/mol |
SpectraBase Spectrum ID | G8Pjti6qULx |
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Name | 2-Bromo-N,N-diethyl-2,2-difluoroacetamide |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 228.991383271 u |
Formula | C6H10BrF2NO |
InChI | InChI=1S/C6H10BrF2NO/c1-3-10(4-2)5(11)6(7,8)9/h3-4H2,1-2H3 |
InChIKey | BOHBJODHDSWYFG-UHFFFAOYSA-N |
Molecular Weight | 230.053 g/mol |
SMILES | C(N(CC)CC)(C(F)(F)Br)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.912645 |