SpectraBase Compound ID | Ju7dOrLoJCu |
---|---|
InChI | InChI=1S/C10H8F2/c1-7-9(10(7,11)12)8-5-3-2-4-6-8/h2-6H,1H3 |
InChIKey | NLFJVFFBWBDYJF-UHFFFAOYSA-N |
Mol Weight | 166.17 g/mol |
Molecular Formula | C10H8F2 |
Exact Mass | 166.059407 g/mol |
SpectraBase Spectrum ID | A0YttewZwi7 |
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Name | 3,3-Difluoro-1-methyl-2-phenylcyclopropene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 166.059406584 u |
Formula | C10H8F2 |
InChI | InChI=1S/C10H8F2/c1-7-9(10(7,11)12)8-5-3-2-4-6-8/h2-6H,1H3 |
InChIKey | NLFJVFFBWBDYJF-UHFFFAOYSA-N |
Molecular Weight | 166.171 g/mol |
SMILES | C1(C(C)=C1C1=CC=CC=C1)(F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.882276 |