SpectraBase Spectrum ID |
BynWJ5GJv8P |
Name |
Fumaric acid, 2,4,6-trichlorophenyl 2,2,3,3,4,4,5,5-octafluoropentyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
507.928217105 u |
Formula |
C15H7Cl3F8O4 |
InChI |
InChI=1S/C15H7Cl3F8O4/c16-6-3-7(17)11(8(18)4-6)30-10(28)2-1-9(27)29-5-13(21,22)15(25,26)14(23,24)12(19)20/h1-4,12H,5H2/b2-1+ |
InChIKey |
LKZFADVGKKDHAF-OWOJBTEDSA-N |
Molecular Weight |
509.563 g/mol |
SMILES |
C(\C=C\C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O)(OC1=C(C=C(C=C1Cl)Cl)Cl)=O |