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3-Benzyloxy-2-methyl-5-( 3'-butenyl)-4-pyridinecarbonitrile
SpectraBase Compound ID AT1tY9qN2rY
InChI InChI=1S/C18H18N2O/c1-3-4-10-16-12-20-14(2)18(17(16)11-19)21-13-15-8-6-5-7-9-15/h3,5-9,12H,1,4,10,13H2,2H3
InChIKey IRWNTBAPDNWLEP-UHFFFAOYSA-N
Mol Weight 278.35 g/mol
Molecular Formula C18H18N2O
Exact Mass 278.141913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KdfaUGTyjHx
Name 3-Benzyloxy-2-methyl-5-( 3'-butenyl)-4-pyridinecarbonitrile
Alternate Name(s) 3-(benzyloxy)-5-(3-butenyl)-2-methylisonicotinonitrile 3-Benzyloxy-5-(3'-butenyl)-2-methyl-4-pyridinecarbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C18H18N2O
InChI InChI=1S/C18H18N2O/c1-3-4-10-16-12-20-14(2)18(17(16)11-19)21-13-15-8-6-5-7-9-15/h3,5-9,12H,1,4,10,13H2,2H3
InChIKey IRWNTBAPDNWLEP-UHFFFAOYSA-N
Molecular Weight 278.355 g/mol
SMILES c1(c(OCc2ccccc2)c(C)ncc1CCC=C)C#N
SPLASH splash10-0006-9000000000-0f1bbe30401e97e32148
Source of Spectrum SB-46-68-22
Wiley ID 1282429