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(4-allyl-2-methoxyphenyl)(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfane
SpectraBase Compound ID AytQcBmDj7s
InChI InChI=1S/C18H15F13OS/c1-3-4-10-5-6-12(11(9-10)32-2)33-8-7-13(19,20)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31/h3,5-6,9H,1,4,7-8H2,2H3
InChIKey LBJSIIAQEOSTBM-UHFFFAOYSA-N
Mol Weight 526.36 g/mol
Molecular Formula C18H15F13OS
Exact Mass 526.063602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LGVSuo01nX9
Name (4-allyl-2-methoxyphenyl)(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfane
Appearance Yellow oil
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Formula C18H15F13OS
InChI InChI=1S/C18H15F13OS/c1-3-4-10-5-6-12(11(9-10)32-2)33-8-7-13(19,20)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31/h3,5-6,9H,1,4,7-8H2,2H3
InChIKey LBJSIIAQEOSTBM-UHFFFAOYSA-N
Instrument Name Bruker MS320 Triple quad
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202101178
Molecular Weight 526.356 g/mol
SMILES C(=C)Cc1ccc(SCCC(C(C(C(F)(F)C(F)(F)C(F)(F)F)(F)F)(F)F)(F)F)c(OC)c1
SPLASH splash10-004i-2900060000-9878b6eb99334ac75ea3
Source of Spectrum ASC-363-SM10-1o
Wiley ID 1851374