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3-(2-Cyanopropan-2-yl)-1H-indole-5-carbonitrile
SpectraBase Compound ID CgGqviDc8PP
InChI InChI=1S/C13H11N3/c1-13(2,8-15)11-7-16-12-4-3-9(6-14)5-10(11)12/h3-5,7,16H,1-2H3
InChIKey ONMNYOVAEZKTFC-UHFFFAOYSA-N
Mol Weight 209.25 g/mol
Molecular Formula C13H11N3
Exact Mass 209.095297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EEckEZU8qgM
Name 3-(2-Cyanopropan-2-yl)-1H-indole-5-carbonitrile
Appearance Colorless liquid
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Formula C13H11N3
InChI InChI=1S/C13H11N3/c1-13(2,8-15)11-7-16-12-4-3-9(6-14)5-10(11)12/h3-5,7,16H,1-2H3
InChIKey ONMNYOVAEZKTFC-UHFFFAOYSA-N
Instrument Name SHIMADZU GCMS-QP2010
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00808
Molecular Weight 209.252 g/mol
Reported Formula C13H11N3
SMILES [nH]1c2c(c(c1)C(C#N)(C)C)cc(cc2)C#N
SPLASH splash10-0006-0910000000-afdcc4cae50bd9a3ba16
Source of Spectrum JOC-86-8395-3ha
Wiley ID 1867819