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3-Pyridinecarbonitrile, 6-methyl-4-(phenylmethyl)-
SpectraBase Compound ID I4BGEgbSyXT
InChI InChI=1S/C14H12N2/c1-11-7-13(14(9-15)10-16-11)8-12-5-3-2-4-6-12/h2-7,10H,8H2,1H3
InChIKey BJTUJLWGOMMMRA-UHFFFAOYSA-N
Mol Weight 208.26 g/mol
Molecular Formula C14H12N2
Exact Mass 208.100048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQbMW8Pql5C
Name 3-Pyridinecarbonitrile, 6-methyl-4-(phenylmethyl)-
Alternate Name(s) 4-benzyl-6-methylnicotinonitrile 4-Benzyl-6-methylpyridine-3-carbonitrile
CAS Registry Number 83640-32-8
Comments Less than 3 mono-isotopic peaks
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Formula C14H12N2
InChI InChI=1S/C14H12N2/c1-11-7-13(14(9-15)10-16-11)8-12-5-3-2-4-6-12/h2-7,10H,8H2,1H3
InChIKey BJTUJLWGOMMMRA-UHFFFAOYSA-N
Molecular Weight 208.264 g/mol
SMILES c1(c(C#N)cnc(c1)C)Cc1ccccc1
SPLASH splash10-0a4i-1090000000-b6925ba2ae026f2c15ea
Source of Spectrum B-35-1462-0
Wiley ID 1207393