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2-[[2-(3-Hydroxyprop-1-ynyl)benzyl]oxy]benzonitrile
SpectraBase Compound ID 4BXsFhTmhn5
InChI InChI=1S/C17H13NO2/c18-12-15-7-3-4-10-17(15)20-13-16-8-2-1-6-14(16)9-5-11-19/h1-4,6-8,10,19H,11,13H2
InChIKey KQUTXJJDWKFGJN-UHFFFAOYSA-N
Mol Weight 263.3 g/mol
Molecular Formula C17H13NO2
Exact Mass 263.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6SD8CFH00GA
Name 2-[[2-(3-Hydroxyprop-1-ynyl)benzyl]oxy]benzonitrile
Alternate Name(s) 2-((2-(3-hydroxyprop-1-yn-1-yl)benzyl)oxy)benzonitrile
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Formula C17H13NO2
InChI InChI=1S/C17H13NO2/c18-12-15-7-3-4-10-17(15)20-13-16-8-2-1-6-14(16)9-5-11-19/h1-4,6-8,10,19H,11,13H2
InChIKey KQUTXJJDWKFGJN-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.joc.5b01884
Molecular Weight 263.296 g/mol
SMILES OCC#Cc1c(COc2c(C#N)cccc2)cccc1
SPLASH splash10-014i-1900000000-b9731517072d202682c6
Source of Spectrum J-80-10284-1t
Wiley ID 1801696