| SpectraBase Spectrum ID |
3XfubbJCvIt |
| Name |
Bisphenol af, bis(pentafluoropropionate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
628.016709342 u |
| Formula |
C21H8F16O4 |
| InChI |
InChI=1S/C21H8F16O4/c22-16(23,20(32,33)34)13(38)40-11-5-1-9(2-6-11)15(18(26,27)28,19(29,30)31)10-3-7-12(8-4-10)41-14(39)17(24,25)21(35,36)37/h1-8H |
| InChIKey |
FQRGULAWHLXMDN-UHFFFAOYSA-N |
| Molecular Weight |
628.265 g/mol |
| SMILES |
C(C(F)(F)F)(C(F)(F)F)(C1=CC=C(C=C1)OC(C(C(F)(F)F)(F)F)=O)C1=CC=C(C=C1)OC(C(C(F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948511 |
