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7-(Methylthio)-5,6-dihydrobenzimidazo[1,2-b]benzo[f]isoquinoline
SpectraBase Compound ID 7BXpzGY1O4Z
InChI InChI=1S/C20H16N2S/c1-23-20-15-11-10-13-6-2-3-7-14(13)16(15)12-19-21-17-8-4-5-9-18(17)22(19)20/h2-9,12H,10-11H2,1H3
InChIKey ZXZSNFSATLEQTM-UHFFFAOYSA-N
Mol Weight 316.42 g/mol
Molecular Formula C20H16N2S
Exact Mass 316.10342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1cSif2MMYS
Name 7-(Methylthio)-5,6-dihydrobenzimidazo[1,2-b]benzo[f]isoquinoline
Alternate Name(s) 5,6-dihydrobenzimidazo[1,2-b]benzo[f]isoquinolin-7-yl methyl sulfide 7-(methylsulfanyl)-5,6-dihydrobenzimidazo[1,2-b]benzo[f]isoquinoline
Comments Less than 3 mono-isotopic peaks
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Formula C20H16N2S
InChI InChI=1S/C20H16N2S/c1-23-20-15-11-10-13-6-2-3-7-14(13)16(15)12-19-21-17-8-4-5-9-18(17)22(19)20/h2-9,12H,10-11H2,1H3
InChIKey ZXZSNFSATLEQTM-UHFFFAOYSA-N
Molecular Weight 316.422 g/mol
SMILES C=1([n]2c(C=C3c4c(CCC13)cccc4)nc1c2cccc1)SC
SPLASH splash10-014i-0009000000-0914fa07f673ae2da669
Source of Spectrum F-68-3503-21
Wiley ID 1572413