| SpectraBase Spectrum ID |
Jxb4HaNKHMc |
| Name |
(2'',2'',2''-Trifluoroethyl)-(dodecafluorohexyl)-[(.alpha.-2',2',2'-trifluoroethyl)benzyl]phosphate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
652.010752762 u |
| Formula |
C17H11F18O4P |
| InChI |
InChI=1S/C17H11F18O4P/c18-10(19)13(26,27)14(28,29)15(30,31)16(32,33)17(34,35)39-40(36,37-7-12(23,24)25)38-9(6-11(20,21)22)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2 |
| InChIKey |
YYLJRNBLFIPFOG-UHFFFAOYSA-N |
| Molecular Weight |
652.216 g/mol |
| SMILES |
C(C(C(C(F)F)(F)F)(F)F)(C(C(OP(OC(CC(F)(F)F)C=1C=CC=CC1)(OCC(F)(F)F)=O)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865334 |
![(2'',2'',2''-Trifluoroethyl)-(dodecafluorohexyl)-[(.alpha.-2',2',2'-trifluoroethyl)benzyl]phosphate](/api/spectrum/Jxb4HaNKHMc/structure.png?h=300&w=458 "(2'',2'',2''-Trifluoroethyl)-(dodecafluorohexyl)-[(.alpha.-2',2',2'-trifluoroethyl)benzyl]phosphate")
