Methyl isonicotinate(2459-09-8) MS
Product NameMethyl isonicotinate
CAS2459-09-8
Molecular FormulaC7H7NO2
Molecular Weight137.14
InChIInChI=1S/C7H7NO2/c1-10-7(9)6-2-4-8-5-3-6/h2-5H,1H3
InChIKey OLXYLDUSSBULGU-UHFFFAOYSA-N
SmilesC1=NC=CC(C(OC)=O)=C1
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MassMS-NW-3013 methyl isonicotinate C7H7NO2 (Mass of molecular ion: 137)
Source Temperature: 270 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 7.7 26.0 1.7 28.0 2.9 29.0 1.7 37.0 1.1 38.0 1.6 39.0 2.3 49.0 2.2 50.0 17.3 51.0 43.8 52.0 4.8 53.0 1.3 59.0 3.9 66.0 1.0 75.0 1.0 76.0 1.5 77.0 2.0 78.0 80.7 79.0 5.8 93.0 1.8 106.0 100.0 107.0 7.6 108.0 1.3 119.0 1.7 136.0 1.1 137.0 84.8 138.0 6.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H7 N O2 0.04 ml : 0.5 ml CDCl3 methyl isonicotinate 
Assign. Shift(ppm)
A 8.78 B 7.84 C 3.961
Hz ppm Int.789.50 8.816 73 787.88 8.798 38 785.13 8.767 43 783.50 8.749 84 705.13 7.874 109 703.50 7.856 57 700.75 7.825 46 699.13 7.807 97 354.75 3.962 1000
in CDCl3
liquid film
