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Methyl 3-(Phenylethynyl)isonicotinate
SpectraBase Compound ID CHOe5yR9Lch
InChI InChI=1S/C15H11NO2/c1-18-15(17)14-9-10-16-11-13(14)8-7-12-5-3-2-4-6-12/h2-6,9-11H,1H3
InChIKey OJPSRZMBSIUVGV-UHFFFAOYSA-N
Mol Weight 237.26 g/mol
Molecular Formula C15H11NO2
Exact Mass 237.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C9iSYPDF9AA
Name Methyl 3-(Phenylethynyl)isonicotinate
Appearance Brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11NO2
InChI InChI=1S/C15H11NO2/c1-18-15(17)14-9-10-16-11-13(14)8-7-12-5-3-2-4-6-12/h2-6,9-11H,1H3
InChIKey OJPSRZMBSIUVGV-UHFFFAOYSA-N
Instrument Name GC??MS apparatus
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000468
Molecular Weight 237.258 g/mol
Reported Formula C15H11NO2
SMILES COC(c1c(cncc1)C#Cc1ccccc1)=O
SPLASH splash10-000i-0590000000-4ddfb99a59c4611c816c
Source of Spectrum U1-2020-3719-3719-5
Wiley ID 1860763