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(1aR,6bS)-1,1,1a,6b-Tetrachloro-4-(toluene-4-sulfonyl)-1,1a,2,3,4,6b-hexahydro-4-aza-cyclopropa[e]indene
SpectraBase Compound ID K5uXH1wimNb
InChI InChI=1S/C16H13Cl4NO2S/c1-10-2-4-11(5-3-10)24(22,23)21-9-7-12-13(21)6-8-14(17)15(12,18)16(14,19)20/h2-5,7,9H,6,8H2,1H3/t14-,15+/m1/s1
InChIKey IPRJTBNXZKBLND-CABCVRRESA-N
Mol Weight 425.2 g/mol
Molecular Formula C16H13Cl4NO2S
Exact Mass 422.942111 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FymAHs1hxPM
Name (1aR,6bS)-1,1,1a,6b-Tetrachloro-4-(toluene-4-sulfonyl)-1,1a,2,3,4,6b-hexahydro-4-aza-cyclopropa[e]indene
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Formula C16H13Cl4NO2S
InChI InChI=1S/C16H13Cl4NO2S/c1-10-2-4-11(5-3-10)24(22,23)21-9-7-12-13(21)6-8-14(17)15(12,18)16(14,19)20/h2-5,7,9H,6,8H2,1H3/t14-,15+/m1/s1
InChIKey IPRJTBNXZKBLND-CABCVRRESA-N
Molecular Weight 425.157 g/mol
SMILES [C@@]12([C@@](CCc3[n](S(c4ccc(cc4)C)(=O)=O)ccc13)(Cl)C2(Cl)Cl)Cl
SPLASH splash10-00di-0900700000-731cd04b7e86550a0f4f
Source of Spectrum AT-35-7926-4a
Wiley ID 852989