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2-Methyl-2-(5-methyl-1H-indol-3-yl)propanenitrile
SpectraBase Compound ID Hjy55PTJsAi
InChI InChI=1S/C13H14N2/c1-9-4-5-12-10(6-9)11(7-15-12)13(2,3)8-14/h4-7,15H,1-3H3
InChIKey SVVHYHUCLZWKPZ-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 4obbHRQtMol
Name 2-Methyl-2-(5-methyl-1H-indol-3-yl)propanenitrile
Appearance Brown liquid
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Formula C13H14N2
InChI InChI=1S/C13H14N2/c1-9-4-5-12-10(6-9)11(7-15-12)13(2,3)8-14/h4-7,15H,1-3H3
InChIKey SVVHYHUCLZWKPZ-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 [nH]1c2c(c(c1)C(C)(C#N)C)cc(cc2)C
SPLASH splash10-001i-0900000000-368f243a769a91ae3cf1
Source of Spectrum JOC-86-8394-3ca
Wiley ID 1867814