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1,7-Diperfluorohexyl-4-[(hydrothio)methyl]heptane
SpectraBase Compound ID 9h52NBKI44G
InChI InChI=1S/C20H16F26S/c21-9(22,11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)43)5-1-3-8(7-47)4-2-6-10(23,24)12(27,28)14(31,32)16(35,36)18(39,40)20(44,45)46/h8,47H,1-7H2
InChIKey VSPAXWNCODBTBO-UHFFFAOYSA-N
Mol Weight 782.37 g/mol
Molecular Formula C20H16F26S
Exact Mass 782.055754 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CBJ7RSwm7Ek
Name 1,7-Diperfluorohexyl-4-[(hydrothio)methyl]heptane
Alternate Name(s) 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-2-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)-1-undecanethiol 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecakis(fluoranyl)-2-[4,4,5,5,6,6,7,7,8,8,9,9,9-tridecakis(fluoranyl)nonyl]undecane-1-thiol
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Formula C20H16F26S
InChI InChI=1S/C20H16F26S/c21-9(22,11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)43)5-1-3-8(7-47)4-2-6-10(23,24)12(27,28)14(31,32)16(35,36)18(39,40)20(44,45)46/h8,47H,1-7H2
InChIKey VSPAXWNCODBTBO-UHFFFAOYSA-N
Molecular Weight 782.366 g/mol
SMILES SCC(CCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
SPLASH splash10-004r-0009000000-47223221823526509551
Source of Spectrum U1-2011-4832-14
Wiley ID 1665834