SpectraBase Compound ID | 4iQg9adjy6r |
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InChI | InChI=1S/C13H11F/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-9H,1H3 |
InChIKey | JSBJQQZPQJIGFJ-UHFFFAOYSA-N |
Mol Weight | 186.23 g/mol |
Molecular Formula | C13H11F |
Exact Mass | 186.084479 g/mol |
SpectraBase Spectrum ID | LK0a5yVKKkl |
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Name | 4-Fluoro-4'-methyl-1,1'-biphenyl |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 186.084478517 u |
Formula | C13H11F |
InChI | InChI=1S/C13H11F/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-9H,1H3 |
InChIKey | JSBJQQZPQJIGFJ-UHFFFAOYSA-N |
Molecular Weight | 186.229 g/mol |
SMILES | C1=C(C=CC(=C1)C1=CC=C(C=C1)F)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.882371 |