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4-Quinolineacetonitrile
SpectraBase Compound ID 6sKHvLfRwpF
InChI InChI=1S/C11H8N2/c12-7-5-9-6-8-13-11-4-2-1-3-10(9)11/h1-4,6,8H,5H2
InChIKey CKTDILDXLGTRNG-UHFFFAOYSA-N
Mol Weight 168.2 g/mol
Molecular Formula C11H8N2
Exact Mass 168.068748 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AsYmWVZ71AC
Name 4-Quinolineacetonitrile
Alternate Name(s) 2-(4-Quinolinyl)acetonitrile 2-(4-Quinolyl)acetonitrile 2-quinolin-4-ylacetonitrile 2-quinolin-4-ylethanenitrile 4-Cyanomethylquinoline
CAS Registry Number 14003-46-4
Comments Less than 3 mono-isotopic peaks
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Formula C11H8N2
InChI InChI=1S/C11H8N2/c12-7-5-9-6-8-13-11-4-2-1-3-10(9)11/h1-4,6,8H,5H2
InChIKey CKTDILDXLGTRNG-UHFFFAOYSA-N
Molecular Weight 168.199 g/mol
SMILES C(#N)Cc1c2c(cccc2)ncc1
SPLASH splash10-014i-0900000000-e08ed076425981d80eb4
Source of Spectrum Y-24-1471-1
Wiley ID 1165128