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2-(1H-Indol-3-yl)-2-(p-tolyl)acetonitrile
SpectraBase Compound ID KYqGVnTTYGe
InChI InChI=1S/C17H14N2/c1-12-6-8-13(9-7-12)15(10-18)16-11-19-17-5-3-2-4-14(16)17/h2-9,11,15,19H,1H3
InChIKey XXLQTIBHTDOLIQ-UHFFFAOYSA-N
Mol Weight 246.31 g/mol
Molecular Formula C17H14N2
Exact Mass 246.115698 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HRhWEPs7WrQ
Name 2-(1H-Indol-3-yl)-2-(p-tolyl)acetonitrile
Appearance Brown liquid
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Formula C17H14N2
InChI InChI=1S/C17H14N2/c1-12-6-8-13(9-7-12)15(10-18)16-11-19-17-5-3-2-4-14(16)17/h2-9,11,15,19H,1H3
InChIKey XXLQTIBHTDOLIQ-UHFFFAOYSA-N
Instrument Name SHIMADZU GCMS-QP2010
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00808
Molecular Weight 246.313 g/mol
Reported Formula C17H14N2
SMILES [nH]1cc(c2c1cccc2)C(C#N)c1ccc(cc1)C
SPLASH splash10-052b-0690000000-78ea3a799c539e03b965
Source of Spectrum JOC-86-8397-10ae
Wiley ID 1867798