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4-Methoxycarbonyl-5-methylthio-1,3-(4'-chlororphenyl)benzene
SpectraBase Compound ID CH92exEgWor
InChI InChI=1S/C21H16Cl2O2S/c1-25-21(24)20-18(14-5-9-17(23)10-6-14)11-15(12-19(20)26-2)13-3-7-16(22)8-4-13/h3-12H,1-2H3
InChIKey HXTFCLKGVUQERS-UHFFFAOYSA-N
Mol Weight 403.32 g/mol
Molecular Formula C21H16Cl2O2S
Exact Mass 402.024806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Fry6k2EzFX
Name 4-Methoxycarbonyl-5-methylthio-1,3-(4'-chlororphenyl)benzene
Alternate Name(s) Methyl 2,4-bis(4-chlorophenyl)-6-methylsulfanylbenzoate Methyl 2,4-bis(4-chlorophenyl)-6-methylsulfanyl-benzoate
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Formula C21H16Cl2O2S
InChI InChI=1S/C21H16Cl2O2S/c1-25-21(24)20-18(14-5-9-17(23)10-6-14)11-15(12-19(20)26-2)13-3-7-16(22)8-4-13/h3-12H,1-2H3
InChIKey HXTFCLKGVUQERS-UHFFFAOYSA-N
Molecular Weight 403.323 g/mol
SMILES c1(c(cc(cc1SC)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1)C(=O)OC
SPLASH splash10-0uxr-0009700000-8ff31bf86b5b97bb5284
Source of Spectrum AT-37-96-3
Wiley ID 853426