SpectraBase Spectrum ID |
Bb1BxZqr4rv |
Name |
4-Fluoro-4'-hydroxybenzophenone, heptafluorobutyrate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
412.034569419 u |
Formula |
C17H8F8O3 |
InChI |
InChI=1S/C17H8F8O3/c18-11-5-1-9(2-6-11)13(26)10-3-7-12(8-4-10)28-14(27)15(19,20)16(21,22)17(23,24)25/h1-8H |
InChIKey |
SXHAYJUQWHFCJC-UHFFFAOYSA-N |
Molecular Weight |
412.235 g/mol |
SMILES |
C1(F)=CC=C(C=C1)C(=O)C1=CC=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98234 |