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2-(8-methyl-1-dibenzothiophenyl)acetonitrile
SpectraBase Compound ID LTdFP7WRoaA
InChI InChI=1S/C15H11NS/c1-10-5-6-13-12(9-10)15-11(7-8-16)3-2-4-14(15)17-13/h2-6,9H,7H2,1H3
InChIKey DMRMVPIIVPDUBN-UHFFFAOYSA-N
Mol Weight 237.32 g/mol
Molecular Formula C15H11NS
Exact Mass 237.061221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FNIKqngXOBB
Name 2-(8-methyl-1-dibenzothiophenyl)acetonitrile
Alternate Name(s) 2-(8-methyldibenzothiophen-1-yl)acetonitrile 2-(8-methyldibenzothiophen-1-yl)ethanenitrile
CAS Registry Number 88113-98-8
Comments Less than 3 mono-isotopic peaks
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Formula C15H11NS
InChI InChI=1S/C15H11NS/c1-10-5-6-13-12(9-10)15-11(7-8-16)3-2-4-14(15)17-13/h2-6,9H,7H2,1H3
InChIKey DMRMVPIIVPDUBN-UHFFFAOYSA-N
Molecular Weight 237.320 g/mol
SMILES c12c3c(cccc3CC#N)sc1ccc(c2)C
SPLASH splash10-000i-0090000000-089db01f69fa357ba499
Source of Spectrum Y-20-1151-0
Wiley ID 1239707