| SpectraBase Spectrum ID |
54AYp8zdrAh |
| Name |
2,3,4,5,6-Pentafluoro-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 |
258.046791040 u |
| Formula |
C13H7F5 |
| InChI |
InChI=1S/C13H7F5/c1-6-2-4-7(5-3-6)8-9(14)11(16)13(18)12(17)10(8)15/h2-5H,1H3 |
| InChIKey |
PWMDTYMKSMKJRY-UHFFFAOYSA-N |
| Molecular Weight |
258.191 g/mol |
| SMILES |
C=1C(=CC=C(C1)C=1C(=C(C(=C(F)C1F)F)F)F)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.805504 |
