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bis(pentafluorophenyl) 5-(benzyloxy)isophthalate
SpectraBase Compound ID 1uRQL7GFR3x
InChI InChI=1S/C27H10F10O5/c28-14-16(30)20(34)24(21(35)17(14)31)41-26(38)11-6-12(8-13(7-11)40-9-10-4-2-1-3-5-10)27(39)42-25-22(36)18(32)15(29)19(33)23(25)37/h1-8H,9H2
InChIKey VZCPOCSUZCXDCN-UHFFFAOYSA-N
Mol Weight 604.36 g/mol
Molecular Formula C27H10F10O5
Exact Mass 604.036855 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID V1vNTZKvXH
Name bis(pentafluorophenyl) 5-(benzyloxy)isophthalate
Alternate Name(s) bis(2,3,4,5,6-pentafluorophenyl) 5-(benzyloxy)isophthalate
CAS Registry Number 114299-60-4
Comments Less than 3 mono-isotopic peaks
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Formula C27H10F10O5
InChI InChI=1S/C27H10F10O5/c28-14-16(30)20(34)24(21(35)17(14)31)41-26(38)11-6-12(8-13(7-11)40-9-10-4-2-1-3-5-10)27(39)42-25-22(36)18(32)15(29)19(33)23(25)37/h1-8H,9H2
InChIKey VZCPOCSUZCXDCN-UHFFFAOYSA-N
Molecular Weight 604.356 g/mol
SMILES c1(c(c(F)c(c(c1F)F)F)F)OC(c1cc(C(Oc2c(c(F)c(c(c2F)F)F)F)=O)cc(c1)OCc1ccccc1)=O
SPLASH splash10-00di-0000900000-e924875562de9ab11964
Source of Spectrum J-53-2753-14
Wiley ID 1410432