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4-Methyl-3,5-bis(perfluorohexyl)benzyl Thiol

View entire compound with spectra: 1 MS (GC)

4-Methyl-3,5-bis(perfluorohexyl)benzyl Thiol
SpectraBase Compound ID 6chKCGdmSB0
InChI InChI=1S/C20H8F26S/c1-5-7(9(21,22)11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)43)2-6(4-47)3-8(5)10(23,24)12(27,28)14(31,32)16(35,36)18(39,40)20(44,45)46/h2-3,47H,4H2,1H3
InChIKey YAIKJCMTFQNKRV-UHFFFAOYSA-N
Mol Weight 774.3 g/mol
Molecular Formula C20H8F26S
Exact Mass 773.993154 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CY6N2QRO8K2
Name 4-Methyl-3,5-bis(perfluorohexyl)benzyl Thiol
Alternate Name(s) [4-methyl-3,5-bis[1,1,2,2,3,3,4,4,5,5,6,6,6-tridecakis(fluoranyl)hexyl]phenyl]methanethiol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H8F26S
InChI InChI=1S/C20H8F26S/c1-5-7(9(21,22)11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)43)2-6(4-47)3-8(5)10(23,24)12(27,28)14(31,32)16(35,36)18(39,40)20(44,45)46/h2-3,47H,4H2,1H3
InChIKey YAIKJCMTFQNKRV-UHFFFAOYSA-N
Molecular Weight 774.302 g/mol
SMILES SCc1cc(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c(c(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1)C
SPLASH splash10-0006-0000000900-89d59fbb3fee9d1d3636
Source of Spectrum U1-2011-4831-9
Wiley ID 1665835