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Methyl 4-Methyl-3,5-bis(perfluorohexyl)benzoate

View entire compound with spectra: 1 MS (GC)

Methyl 4-Methyl-3,5-bis(perfluorohexyl)benzoate
SpectraBase Compound ID 2StzaoL8GXN
InChI InChI=1S/C21H8F26O2/c1-5-7(10(22,23)12(26,27)14(30,31)16(34,35)18(38,39)20(42,43)44)3-6(9(48)49-2)4-8(5)11(24,25)13(28,29)15(32,33)17(36,37)19(40,41)21(45,46)47/h3-4H,1-2H3
InChIKey BLNKJLAHHFCXEH-UHFFFAOYSA-N
Mol Weight 786.25 g/mol
Molecular Formula C21H8F26O2
Exact Mass 786.010912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8AyUTgTs9tM
Name Methyl 4-Methyl-3,5-bis(perfluorohexyl)benzoate
Alternate Name(s) Methyl 4-methyl-3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)benzoate Methyl 4-methyl-3,5-bis[1,1,2,2,3,3,4,4,5,5,6,6,6-tridecakis(fluoranyl)hexyl]benzoate
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Formula C21H8F26O2
InChI InChI=1S/C21H8F26O2/c1-5-7(10(22,23)12(26,27)14(30,31)16(34,35)18(38,39)20(42,43)44)3-6(9(48)49-2)4-8(5)11(24,25)13(28,29)15(32,33)17(36,37)19(40,41)21(45,46)47/h3-4H,1-2H3
InChIKey BLNKJLAHHFCXEH-UHFFFAOYSA-N
Molecular Weight 786.251 g/mol
SMILES C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(c1c(c(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)cc(c1)C(=O)OC)C)(F)F)(F)F)(F)F
SPLASH splash10-014i-0000090500-6739625010eced132f4b
Source of Spectrum U1-2011-4830-12
Wiley ID 1665838