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1-O-(Difluorophosphanyl)-2-O-(trimethylsilyl)[ tetrakis(t-butyl)]calix[4]pyrocatechol
SpectraBase Compound ID GGHnWrtJwuu
InChI InChI=1S/C47H63F2O4PSi/c1-44(2,3)36-20-28-16-29-21-37(45(4,5)6)23-31(41(29)51)18-34-26-39(47(10,11)12)27-35(43(34)53-55(13,14)15)19-33-25-38(46(7,8)9)24-32(42(33)52-54(48)49)17-30(22-36)40(28)50/h20-27,50-51H,16-19H2,1-15H3
InChIKey HWNRLTBHVAEHJJ-UHFFFAOYSA-N
Mol Weight 789.1 g/mol
Molecular Formula C47H63F2O4PSi
Exact Mass 788.42013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3qTf4DhEyj2
Name 1-O-(Difluorophosphanyl)-2-O-(trimethylsilyl)[ tetrakis(t-butyl)]calix[4]pyrocatechol
Alternate Name(s) 5,11,17,23-tetratert-butyl-26,27-dihydroxy-28-[(trimethylsilyl)oxy]pentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaen-25-yl difluoridophosphite
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Formula C47H63F2O4PSi
InChI InChI=1S/C47H63F2O4PSi/c1-44(2,3)36-20-28-16-29-21-37(45(4,5)6)23-31(41(29)51)18-34-26-39(47(10,11)12)27-35(43(34)53-55(13,14)15)19-33-25-38(46(7,8)9)24-32(42(33)52-54(48)49)17-30(22-36)40(28)50/h20-27,50-51H,16-19H2,1-15H3
InChIKey HWNRLTBHVAEHJJ-UHFFFAOYSA-N
Molecular Weight 789.073 g/mol
SMILES Oc1c2Cc3c(c(Cc4c(c(Cc5c(c(Cc1cc(c2)C(C)(C)C)cc(c5)C(C)(C)C)OP(F)F)cc(c4)C(C)(C)C)O[Si](C)(C)C)cc(c3)C(C)(C)C)O
SPLASH splash10-006t-9700000000-ec96b71f8cff4c68c340
Source of Spectrum K-128-271-3
Wiley ID 1416999