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4-(2-Perfluorodecyl)ethylbenzyl 3-methyl-3-phenylthiopropanate
SpectraBase Compound ID BU4b84e02bQ
InChI InChI=1S/C29H21F21O2S/c1-15(53-18-5-3-2-4-6-18)13-19(51)52-14-17-9-7-16(8-10-17)11-12-20(30,31)21(32,33)22(34,35)23(36,37)24(38,39)25(40,41)26(42,43)27(44,45)28(46,47)29(48,49)50/h2-10,15H,11-14H2,1H3
InChIKey LCPXGKFXCDGJQP-UHFFFAOYSA-N
Mol Weight 832.51 g/mol
Molecular Formula C29H21F21O2S
Exact Mass 832.092693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ip9sOQKJTIm
Name 4-(2-Perfluorodecyl)ethylbenzyl 3-methyl-3-phenylthiopropanate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H21F21O2S
InChI InChI=1S/C29H21F21O2S/c1-15(53-18-5-3-2-4-6-18)13-19(51)52-14-17-9-7-16(8-10-17)11-12-20(30,31)21(32,33)22(34,35)23(36,37)24(38,39)25(40,41)26(42,43)27(44,45)28(46,47)29(48,49)50/h2-10,15H,11-14H2,1H3
InChIKey LCPXGKFXCDGJQP-UHFFFAOYSA-N
Molecular Weight 832.511 g/mol
SMILES C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(CCc1ccc(cc1)COC(CC(Sc1ccccc1)C)=O)(F)F)(F)F)(F)F)(F)F)(F)F
SPLASH splash10-052k-0900002000-67bb7232e1b7f2fbdbc1
Source of Spectrum KC-57-5251-7
Synonyms [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)phenyl]methyl 3-(phenylsulfanyl)butanoate
Wiley ID 1624584