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2-Methyl-2-(3-methyl-1H-indol-1-yl)propanenitrile
SpectraBase Compound ID 5jZx3I4Lqts
InChI InChI=1S/C13H14N2/c1-10-8-15(13(2,3)9-14)12-7-5-4-6-11(10)12/h4-8H,1-3H3
InChIKey IZMRBKSVWIUIFY-UHFFFAOYSA-N
Mol Weight 198.27 g/mol
Molecular Formula C13H14N2
Exact Mass 198.115698 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7TstiAqWSTx
Name 2-Methyl-2-(3-methyl-1H-indol-1-yl)propanenitrile
Appearance Colorless liquid
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Formula C13H14N2
InChI InChI=1S/C13H14N2/c1-10-8-15(13(2,3)9-14)12-7-5-4-6-11(10)12/h4-8H,1-3H3
InChIKey IZMRBKSVWIUIFY-UHFFFAOYSA-N
Instrument Name SHIMADZU GCMS-QP2010
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00808
Molecular Weight 198.269 g/mol
Reported Formula C13H14N2
SMILES CC(C#N)(C)[n]1cc(c2c1cccc2)C
SPLASH splash10-001i-1900000000-3037311a5675eae7d7eb
Source of Spectrum JOC-86-8396-3r'a
Wiley ID 1867829