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1-(2-Phenylthioethyl)perfluoronanone
SpectraBase Compound ID 4RUg68Gzj0n
InChI InChI=1S/C17H9F17OS/c18-10(19,9(35)6-7-36-8-4-2-1-3-5-8)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h1-5H,6-7H2
InChIKey XOEZZSJEQPYOLW-UHFFFAOYSA-N
Mol Weight 584.29 g/mol
Molecular Formula C17H9F17OS
Exact Mass 584.010265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FnAV2cQQJab
Name 1-(2-Phenylthioethyl)perfluoronanone
Alternate Name(s) 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-1-(phenylsulfanyl)-3-undecanone
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Formula C17H9F17OS
InChI InChI=1S/C17H9F17OS/c18-10(19,9(35)6-7-36-8-4-2-1-3-5-8)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h1-5H,6-7H2
InChIKey XOEZZSJEQPYOLW-UHFFFAOYSA-N
Molecular Weight 584.291 g/mol
SMILES C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(=O)CCSc1ccccc1)(F)F)(F)F)(F)F)(F)F
SPLASH splash10-0230-0900040000-f36c724d790a74df3161
Source of Spectrum AJ-62-2640-14
Wiley ID 1408784