| SpectraBase Spectrum ID |
BrIvwhrDqAv |
| Name |
1,4-Dihydroxy-2-(perfluoropropyl)anthraquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.023255842 u |
| Formula |
C17H7F7O4 |
| InChI |
InChI=1S/C17H7F7O4/c18-15(19,16(20,21)17(22,23)24)8-5-9(25)10-11(14(8)28)13(27)7-4-2-1-3-6(7)12(10)26/h1-5,25,28H |
| InChIKey |
KAWHGLABUFYSRK-UHFFFAOYSA-N |
| Molecular Weight |
408.228 g/mol |
| SMILES |
C=1(C(C(C(F)(F)F)(F)F)(F)F)C(=C2C(C=3C=CC=CC3C(C2=C(C1)O)=O)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859763 |
