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1,3-Dibenzyl-4,6-dichloro-7-methyl-1,3-dihydrothieno[3,4-c]pyridine 2,2-dioxide
SpectraBase Compound ID 9ls9ONP3wJs
InChI InChI=1S/C22H19Cl2NO2S/c1-14-19-17(12-15-8-4-2-5-9-15)28(26,27)18(13-16-10-6-3-7-11-16)20(19)22(24)25-21(14)23/h2-11,17-18H,12-13H2,1H3
InChIKey PLXAFNTUKUDQAG-UHFFFAOYSA-N
Mol Weight 432.37 g/mol
Molecular Formula C22H19Cl2NO2S
Exact Mass 431.051355 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DEWhHXgQGvz
Name 1,3-Dibenzyl-4,6-dichloro-7-methyl-1,3-dihydrothieno[3,4-c]pyridine 2,2-dioxide
Alternate Name(s) 4,6-bis(chloranyl)-7-methyl-1,3-bis(phenylmethyl)-1,3-dihydrothieno[3,4-c]pyridine 2,2-dioxide 4,6-Dichloro-7-methyl-1,3-bis(phenylmethyl)-1,3-dihydrothieno[3,4-c]pyridine 2,2-dioxide
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Formula C22H19Cl2NO2S
InChI InChI=1S/C22H19Cl2NO2S/c1-14-19-17(12-15-8-4-2-5-9-15)28(26,27)18(13-16-10-6-3-7-11-16)20(19)22(24)25-21(14)23/h2-11,17-18H,12-13H2,1H3
InChIKey PLXAFNTUKUDQAG-UHFFFAOYSA-N
Molecular Weight 432.365 g/mol
SMILES c1(c2c(c(c(n1)Cl)C)C(S(C2Cc1ccccc1)(=O)=O)Cc1ccccc1)Cl
SPLASH splash10-0006-9001000000-77773ba40b504310f733
Source of Spectrum KC-57-4210-7
Wiley ID 1624097