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2-Methyl-2-(2-methyl-1H-indol-3-yl)propanenitrile
SpectraBase Compound ID 7aaCS8B4RyX
InChI InChI=1S/C13H14N2/c1-9-12(13(2,3)8-14)10-6-4-5-7-11(10)15-9/h4-7,15H,1-3H3
InChIKey MXPAPGACOIWGNT-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 JbAGjTD5CaN
Name 2-Methyl-2-(2-methyl-1H-indol-3-yl)propanenitrile
Appearance Brown liquid
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Formula C13H14N2
InChI InChI=1S/C13H14N2/c1-9-12(13(2,3)8-14)10-6-4-5-7-11(10)15-9/h4-7,15H,1-3H3
InChIKey MXPAPGACOIWGNT-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(c1C)C(C)(C#N)C)cccc2
SPLASH splash10-001i-0900000000-ef850495ebb8f4ec4109
Source of Spectrum JOC-86-8395-3ma
Wiley ID 1867824