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(3RS,6RS)-6-CHLORO-3-CHLOROMETHYL-2,3,6,7-TETRAHYDRO-5H-1,8,4-TETRACHLOROBENZODIOXATHIECIN;OTHER_DIASTEREOMER_NOT_FOUND;CONFORMERS_A_AND_B

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(3RS,6RS)-6-CHLORO-3-CHLOROMETHYL-2,3,6,7-TETRAHYDRO-5H-1,8,4-TETRACHLOROBENZODIOXATHIECIN;OTHER_DIASTEREOMER_NOT_FOUND;CONFORMERS_A_AND_B
SpectraBase Compound ID EsXuz2ldGTk
InChI InChI=1S/2C12H10Cl6O2S/c2*13-1-6-3-20-12-10(18)8(16)7(15)9(17)11(12)19-2-5(14)4-21-6/h2*5-6H,1-4H2
InChIKey JLPBHILQIRYERP-UHFFFAOYSA-N
Mol Weight 862.0 g/mol
Molecular Formula C24H20Cl12O4S2
Exact Mass 855.706534 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 41NceM1n0MF
Name (3RS,6RS)-6-CHLORO-3-CHLOROMETHYL-2,3,6,7-TETRAHYDRO-5H-1,8,4-TETRACHLOROBENZODIOXATHIECIN;OTHER_DIASTEREOMER_NOT_FOUND;CONFORMERS_A_AND_B
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H20Cl12O4S2
InChI InChI=1S/2C12H10Cl6O2S/c2*13-1-6-3-20-12-10(18)8(16)7(15)9(17)11(12)19-2-5(14)4-21-6/h2*5-6H,1-4H2
InChIKey JLPBHILQIRYERP-UHFFFAOYSA-N
Literature Reference Author R.MEUSINGER,J.HEINICKE,K.MOEHLE,M.MUEHLSTAEDT
Literature Reference Citation MH.CHEM.,127,1145(1996)
Literature Reference DOI 10.1007/BF00844689
Molecular Weight 861.976 g/mol
Solvent CDCl3
Source File Reference UWMZ185