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1,3,7,9-tetratert-butyl-11-(methylthio)-11-sulfanylidene-5H-benzo[d][1,3,2]benzodioxaphosphocin
SpectraBase Compound ID D4BKmNHXdSV
InChI InChI=1S/C30H45O2PS2/c1-27(2,3)21-15-19-14-20-16-22(28(4,5)6)18-24(30(10,11)12)26(20)32-33(34,35-13)31-25(19)23(17-21)29(7,8)9/h15-18H,14H2,1-13H3
InChIKey QTPTTXYBRHIROB-UHFFFAOYSA-N
Mol Weight 532.8 g/mol
Molecular Formula C30H45O2PS2
Exact Mass 532.25986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID qooJtkcO4T
Name 1,3,7,9-tetratert-butyl-11-(methylthio)-11-sulfanylidene-5H-benzo[d][1,3,2]benzodioxaphosphocin
Alternate Name(s) 1,3,7,9-tetratert-butyl-11-(methylthio)-11-thioxo-5H-benzo[d][1,3,2]benzodioxaphosphocin 1,3,7,9-tetratert-butyl-11-methylsulfanyl-11-sulfanylidene-5H-benzo[d][1,3,2]benzodioxaphosphocine 1,3,7,9-tetratert-butyl-11-methylsulfanyl-11-thioxo-5H-benzo[d][1,3,2]benzodioxaphosphocine
CAS Registry Number 120302-76-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H45O2PS2
InChI InChI=1S/C30H45O2PS2/c1-27(2,3)21-15-19-14-20-16-22(28(4,5)6)18-24(30(10,11)12)26(20)32-33(34,35-13)31-25(19)23(17-21)29(7,8)9/h15-18H,14H2,1-13H3
InChIKey QTPTTXYBRHIROB-UHFFFAOYSA-N
Molecular Weight 532.782 g/mol
SMILES c12OP(Oc3c(Cc1cc(cc2C(C)(C)C)C(C)(C)C)cc(cc3C(C)(C)C)C(C)(C)C)(=S)SC
SPLASH splash10-052r-4000910000-4446d556f56af5b4bc31
Source of Spectrum Y-25-586-6
Wiley ID 1403618