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2-(1H-Indol-3-yl)-3,3-dimethylbutanenitrile
SpectraBase Compound ID CsbcymSdGxs
InChI InChI=1S/C14H16N2/c1-14(2,3)12(8-15)11-9-16-13-7-5-4-6-10(11)13/h4-7,9,12,16H,1-3H3
InChIKey USUFUWSCJACSRC-UHFFFAOYSA-N
Mol Weight 212.3 g/mol
Molecular Formula C14H16N2
Exact Mass 212.131349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5igj8b4hsWa
Name 2-(1H-Indol-3-yl)-3,3-dimethylbutanenitrile
Appearance Colorless liquid
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Formula C14H16N2
InChI InChI=1S/C14H16N2/c1-14(2,3)12(8-15)11-9-16-13-7-5-4-6-10(11)13/h4-7,9,12,16H,1-3H3
InChIKey USUFUWSCJACSRC-UHFFFAOYSA-N
Instrument Name SHIMADZU GCMS-QP2010
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00808
Molecular Weight 212.296 g/mol
Reported Formula C14H16N2
SMILES [nH]1cc(c2c1cccc2)C(C#N)C(C)(C)C
SPLASH splash10-0a4i-1900000000-c2820f74a17eca6734d8
Source of Spectrum JOC-86-8399-10au
Wiley ID 1867808