SpectraBase Spectrum ID |
EAnSCVYExng |
Name |
Methanone, (2,3,4,5,6-pentafluorophenyl)[2,3,5,6-tetrafluoro-4-(phenylmethyl)phenyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
434.035318311 u |
Formula |
C20H7F9O |
InChI |
InChI=1S/C20H7F9O/c21-11-8(6-7-4-2-1-3-5-7)12(22)14(24)9(13(11)23)20(30)10-15(25)17(27)19(29)18(28)16(10)26/h1-5H,6H2 |
InChIKey |
AEPBSSBVWGDTRN-UHFFFAOYSA-N |
Molecular Weight |
434.261 g/mol |
SMILES |
C1(F)=C(F)C(F)=C(C(=O)C2=C(F)C(F)=C(CC3=CC=CC=C3)C(F)=C2F)C(F)=C1F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84442 |