SpectraBase Compound ID | BHsqb52hYcn |
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InChI | InChI=1S/C7H12BrF/c1-3-6(4-2)5-7(6,8)9/h3-5H2,1-2H3 |
InChIKey | QIOOXYHTVAYGQX-UHFFFAOYSA-N |
Mol Weight | 195.08 g/mol |
Molecular Formula | C7H12BrF |
Exact Mass | 194.010642 g/mol |
SpectraBase Spectrum ID | 8ktucEgxUxj |
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Name | Cyclopropane, 1-bromo-2,2-diethyl-1-fluoro- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 194.010641549 u |
Formula | C7H12BrF |
InChI | InChI=1S/C7H12BrF/c1-3-6(4-2)5-7(6,8)9/h3-5H2,1-2H3 |
InChIKey | QIOOXYHTVAYGQX-UHFFFAOYSA-N |
Molecular Weight | 195.075 g/mol |
SMILES | C1(C(CC)(CC)C1)(F)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.889485 |