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2-(3-chloranyl-1-methyl-2-oxidanylidene-quinolin-4-yl)propanedinitrile
SpectraBase Compound ID 7c0IiC5bcnB
InChI InChI=1S/C13H8ClN3O/c1-17-10-5-3-2-4-9(10)11(8(6-15)7-16)12(14)13(17)18/h2-5,8H,1H3
InChIKey OUFGZDYBPWWLTG-UHFFFAOYSA-N
Mol Weight 257.68 g/mol
Molecular Formula C13H8ClN3O
Exact Mass 257.03559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1EHq50ZrGLM
Name 2-(3-chloranyl-1-methyl-2-oxidanylidene-quinolin-4-yl)propanedinitrile
Alternate Name(s) 2-(3-chloro-1-methyl-2-oxo-4-quinolinyl)propanedinitrile 2-(3-chloro-1-methyl-2-oxo-4-quinolyl)propanedinitrile 2-(3-chloro-1-methyl-2-oxoquinolin-4-yl)propanedinitrile 2-(3-chloro-2-keto-1-methyl-4-quinolyl)malononitrile
Comments Less than 3 mono-isotopic peaks
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Formula C13H8ClN3O
InChI InChI=1S/C13H8ClN3O/c1-17-10-5-3-2-4-9(10)11(8(6-15)7-16)12(14)13(17)18/h2-5,8H,1H3
InChIKey OUFGZDYBPWWLTG-UHFFFAOYSA-N
Molecular Weight 257.680 g/mol
SMILES C=1(C(N(C)c2c(C1C(C#N)C#N)cccc2)=O)Cl
SPLASH splash10-0a4i-0090000000-0fcbc0de8b5b7e097b85
Source of Spectrum AJ-43-122-5
Wiley ID 1593813