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1-(4-Chlorophenylthio)-2,4-dinitrobenzene
SpectraBase Compound ID IXWboqMNqcz
InChI InChI=1S/C12H7ClN2O4S/c13-8-1-4-10(5-2-8)20-12-6-3-9(14(16)17)7-11(12)15(18)19/h1-7H
InChIKey JJOKSIVIQACHPZ-UHFFFAOYSA-N
Mol Weight 310.71 g/mol
Molecular Formula C12H7ClN2O4S
Exact Mass 309.981506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4R6ZziTwrmC
Name 1-(4-Chlorophenylthio)-2,4-dinitrobenzene
Alternate Name(s) 1-[(4-chlorophenyl)thio]-2,4-dinitrobenzene 1-(4-Chlorophenyl)sulfanyl-2,4-dinitrobenzene 1-(4-Chlorophenyl)sulfanyl-2,4-dinitro-benzene
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Formula C12H7ClN2O4S
InChI InChI=1S/C12H7ClN2O4S/c13-8-1-4-10(5-2-8)20-12-6-3-9(14(16)17)7-11(12)15(18)19/h1-7H
InChIKey JJOKSIVIQACHPZ-UHFFFAOYSA-N
Molecular Weight 310.711 g/mol
SMILES c1(N(=O)=O)cc(N(=O)=O)ccc1Sc1ccc(cc1)Cl
SPLASH splash10-0f7c-0691000000-0466bc4aa600634853b1
Source of Spectrum C-120-6660-5
Wiley ID 761062