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2-(7-methyl-1-dibenzothiophenyl)acetonitrile
SpectraBase Compound ID LE4mfuRBpnN
InChI InChI=1S/C15H11NS/c1-10-5-6-12-14(9-10)17-13-4-2-3-11(7-8-16)15(12)13/h2-6,9H,7H2,1H3
InChIKey OVADGBXAOXQTPV-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 AXNkQvbEVPI
Name 2-(7-methyl-1-dibenzothiophenyl)acetonitrile
Alternate Name(s) 2-(7-methyldibenzothiophen-1-yl)acetonitrile 2-(7-methyldibenzothiophen-1-yl)ethanenitrile
CAS Registry Number 88113-97-7
Comments Less than 3 mono-isotopic peaks
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Formula C15H11NS
InChI InChI=1S/C15H11NS/c1-10-5-6-12-14(9-10)17-13-4-2-3-11(7-8-16)15(12)13/h2-6,9H,7H2,1H3
InChIKey OVADGBXAOXQTPV-UHFFFAOYSA-N
Molecular Weight 237.320 g/mol
SMILES c12sc3c(c2ccc(c1)C)c(ccc3)CC#N
SPLASH splash10-000i-0090000000-9e2c2aa1c9706640fccc
Source of Spectrum Y-20-1151-0
Wiley ID 1239706