4-Methylpyrimidine(3438-46-8) 13C NMR
Product Name4-Methylpyrimidine
CAS3438-46-8
Molecular FormulaC5H6N2
Molecular Weight94.11
InChIInChI=1S/C5H6N2/c1-5-2-3-6-4-7-5/h2-4H,1H3
InChIKey LVILGAOSPDLNRM-UHFFFAOYSA-N
SmilesC1=NC=CC(C)=N1
-
MassMS-NW-4662 4-methylpyrimidine C5H6N2 (Mass of molecular ion: 94)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 1.6 18.0 1.5 26.0 12.8 27.0 2.4 28.0 11.0 37.0 4.1 38.0 7.0 39.0 21.1 40.0 27.6 41.0 7.0 42.0 4.6 51.0 3.0 52.0 10.8 53.0 24.5 54.0 2.0 64.0 1.7 65.0 1.2 66.0 4.6 67.0 21.6 68.0 1.8 79.0 7.9 93.0 3.4 94.0 100.0 95.0 6.4 107.0 1.2
90 MHz in CDCl3
-
1H NMR 89.56 MHz C5 H6 N2 0.04 ml : 0.5 ml CDCl3 4-methylpyrimidine 
Assign. Shift(ppm)
A 9.095 B 8.582 C 7.204 D 2.538
Hz ppm Int.814.94 9.100 118 814.13 9.091 121 771.38 8.613 160 766.19 8.556 174 648.69 7.244 85 648.19 7.238 93 647.31 7.228 94 646.75 7.222 87 643.50 7.186 80 643.00 7.180 88 642.13 7.170 88 641.63 7.165 81 227.38 2.539 1000
in CDCl3
liquid film
