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6-(4-METHYLPHENYLTHIO)-2,10-DICHLORO-4,8-DINITRO-12-TRICHLOROMETHYL-12H-DIBENZO-[D,G]-[1,3,2]-DIOXAPHOSPHOCIN-6-OXIDE
SpectraBase Compound ID CvzPtGsTLr
InChI InChI=1S/C21H12Cl5N2O7PS/c1-10-2-4-13(5-3-10)37-36(33)34-19-14(6-11(22)8-16(19)27(29)30)18(21(24,25)26)15-7-12(23)9-17(28(31)32)20(15)35-36/h2-9,18H,1H3
InChIKey RAFDMOSBKMZBBM-UHFFFAOYSA-N
Mol Weight 644.6 g/mol
Molecular Formula C21H12Cl5N2O7PS
Exact Mass 641.854547 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BX17EgiDHqa
Name 6-(4-METHYLPHENYLTHIO)-2,10-DICHLORO-4,8-DINITRO-12-TRICHLOROMETHYL-12H-DIBENZO-[D,G]-[1,3,2]-DIOXAPHOSPHOCIN-6-OXIDE
Compound Number 4K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H12Cl5N2O7PS
InChI InChI=1S/C21H12Cl5N2O7PS/c1-10-2-4-13(5-3-10)37-36(33)34-19-14(6-11(22)8-16(19)27(29)30)18(21(24,25)26)15-7-12(23)9-17(28(31)32)20(15)35-36/h2-9,18H,1H3
InChIKey RAFDMOSBKMZBBM-UHFFFAOYSA-N
Literature Reference Author K.A.KUMAR,M.KASTHURAIAH,C.S.REDDY,C.D.REDDY,K.D.BERLIN
Literature Reference Citation J.HETCYCL.CHEM.,40,345(2003)
Literature Reference DOI 10.1002/jhet.5570400224
Molecular Weight 644.634 g/mol
Solvent DMSO-D6
Source File Reference UWMS22553