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6-(3'-BROMOPHENYLTHIO)-2,4,8,10-TETRA-TERT.-BUTYLDIBENZO-[D,G]-[1,3,6,2]-DIOXATHIAPHOSPHOCIN-6-OXIDE
SpectraBase Compound ID 32v4dEdwPRn
InChI InChI=1S/C34H44BrO3PS2/c1-31(2,3)21-16-25(33(7,8)9)29-27(18-21)40-28-19-22(32(4,5)6)17-26(34(10,11)12)30(28)38-39(36,37-29)41-24-15-13-14-23(35)20-24/h13-20H,1-12H3
InChIKey SPBZBWVRRLPWEM-UHFFFAOYSA-N
Mol Weight 675.7 g/mol
Molecular Formula C34H44BrO3PS2
Exact Mass 674.165288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IbcuSQJM3g6
Name 6-(3'-BROMOPHENYLTHIO)-2,4,8,10-TETRA-TERT.-BUTYLDIBENZO-[D,G]-[1,3,6,2]-DIOXATHIAPHOSPHOCIN-6-OXIDE
Compound Number 4I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H44BrO3PS2
InChI InChI=1S/C34H44BrO3PS2/c1-31(2,3)21-16-25(33(7,8)9)29-27(18-21)40-28-19-22(32(4,5)6)17-26(34(10,11)12)30(28)38-39(36,37-29)41-24-15-13-14-23(35)20-24/h13-20H,1-12H3
InChIKey SPBZBWVRRLPWEM-UHFFFAOYSA-N
Literature Reference Author M.KASTHURAIAH,K.A.KUMAR,C.S.REDDY
Literature Reference Citation J.HETCYCL.CHEM.,41,413(2004)
Literature Reference DOI 10.1002/jhet.5570410318
Molecular Weight 675.719 g/mol
Solvent CDCl3
Source File Reference UWLU22311