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4-Chloro-2-(4'-{tris[(2"-(Perfluorohexyl)ethyl]silyl}benzyl)-oxycarbonyl]amino)-benzoic acid
SpectraBase Compound ID 2hP0K6vCMWh
InChI InChI=1S/C39H23ClF39NO4Si/c40-16-3-6-18(20(81)82)19(13-16)80-21(83)84-14-15-1-4-17(5-2-15)85(10-7-22(41,42)25(47,48)28(53,54)31(59,60)34(65,66)37(71,72)73,11-8-23(43,44)26(49,50)29(55,56)32(61,62)35(67,68)38(74,75)76)12-9-24(45,46)27(51,52)30(57,58)33(63,64)36(69,70)39(77,78)79/h1-6,13H,7-12,14H2,(H,80,83)(H,81,82)
InChIKey KGUUOLCDJSHNNP-UHFFFAOYSA-N
Mol Weight 1374.1 g/mol
Molecular Formula C39H23ClF39NO4Si
Exact Mass 1373.046211 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2MmNCbuEzo
Name 4-Chloro-2-(4'-{tris[(2"-(Perfluorohexyl)ethyl]silyl}benzyl)-oxycarbonyl]amino)-benzoic acid
Alternate Name(s) 4-Chloro-2-[[oxo-[[4-[tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]phenyl]methoxy]methyl]amino]benzoic acid 4-Chloro-2-[[4-[tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]phenyl]methoxycarbonylamino]benzoic acid 4-Chloranyl-2-[[4-[tris[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octyl]silyl]phenyl]methoxycarbonylamino]benzoic acid
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Formula C39H23ClF39NO4Si
InChI InChI=1S/C39H23ClF39NO4Si/c40-16-3-6-18(20(81)82)19(13-16)80-21(83)84-14-15-1-4-17(5-2-15)85(10-7-22(41,42)25(47,48)28(53,54)31(59,60)34(65,66)37(71,72)73,11-8-23(43,44)26(49,50)29(55,56)32(61,62)35(67,68)38(74,75)76)12-9-24(45,46)27(51,52)30(57,58)33(63,64)36(69,70)39(77,78)79/h1-6,13H,7-12,14H2,(H,80,83)(H,81,82)
InChIKey KGUUOLCDJSHNNP-UHFFFAOYSA-N
Molecular Weight 1374.092 g/mol
SMILES N(c1c(C(=O)O)ccc(c1)Cl)C(OCc1ccc([Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)cc1)=O
SPLASH splash10-056u-5925000000-0ca6b5208823ba4ef4a5
Source of Spectrum H-85-262-13
Wiley ID 1523906