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4-methyl-6-naphtho[1,2-b][1]benzothiolecarbonitrile
SpectraBase Compound ID C0zZeQQThb5
InChI InChI=1S/C18H11NS/c1-11-5-4-7-13-15(11)9-12(10-19)17-14-6-2-3-8-16(14)20-18(13)17/h2-9H,1H3
InChIKey GQTRHTVOKPXNJT-UHFFFAOYSA-N
Mol Weight 273.35 g/mol
Molecular Formula C18H11NS
Exact Mass 273.061221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID TrFFfK87Tc
Name 4-methyl-6-naphtho[1,2-b][1]benzothiolecarbonitrile
Alternate Name(s) 4-methylnaphtho[1,2-b]benzothiophene-6-carbonitrile 4-methylnaphtho[1,2-b][1]benzothiole-6-carbonitrile
CAS Registry Number 89817-41-4
Comments Less than 3 mono-isotopic peaks
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Formula C18H11NS
InChI InChI=1S/C18H11NS/c1-11-5-4-7-13-15(11)9-12(10-19)17-14-6-2-3-8-16(14)20-18(13)17/h2-9H,1H3
InChIKey GQTRHTVOKPXNJT-UHFFFAOYSA-N
Molecular Weight 273.353 g/mol
SMILES c12sc3ccccc3c2c(C#N)cc2c1cccc2C
SPLASH splash10-00di-0090000000-b36b384ce4afdc966dfc
Source of Spectrum Y-20-1457-0
Wiley ID 1277437