5-Methyl-2-pyrazinecarboxylic acid(5521-55-1) IR1
Product Name5-Methyl-2-pyrazinecarboxylic acid
CAS5521-55-1
Molecular FormulaC6H6N2O2
Molecular Weight138.12
InChIInChI=1S/C6H6N2O2/c1-4-2-8-5(3-7-4)6(9)10/h2-3H,1H3,(H,9,10)
InChIKey RBYJWCRKFLGNDB-UHFFFAOYSA-N
SmilesC1(C(O)=O)=NC=C(C)N=C1
-
MassMS-IW-2176 5-methyl-2-pyrazinecarboxylic acid C6H6N2O2 (Mass of molecular ion: 138)
Source Temperature: 190 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 4.7 17.0 1.2 18.0 5.2 25.0 1.9 26.0 7.7 27.0 5.5 28.0 17.6 29.0 1.8 37.0 8.2 38.0 15.9 39.0 53.3 40.0 30.0 41.0 13.3 42.0 84.2 43.0 7.0 44.0 3.8 45.0 8.6 46.5 1.8 50.0 1.0 51.0 8.8 52.0 20.7 53.0 28.4 54.0 3.8 55.0 3.3 63.0 2.3 64.0 7.4 65.0 4.1 66.0 34.2 67.0 21.2 68.0 6.2 69.0 4.6 70.0 23.5 71.0 1.2 81.0 1.4 82.0 1.4 83.0 1.7 92.0 11.7 93.0 30.9 94.0 100.0 95.0 6.5 96.0 1.1 97.0 3.5 108.0 1.2 109.0 1.0 111.0 5.8 120.0 12.1 121.0 2.5 138.0 89.6 139.0 6.8
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C6 H6 N2 O2 0.035 g : 0.5 ml DMSO-d6 5-methyl-2-pyrazinecarboxylic acid 
Assign. Shift(ppm)
A 9.072 B 8.698 C 2.609 J(A,B)=1.2HZ
Hz ppm Int.3626.40 9.074 246 3625.18 9.071 250 3476.87 8.700 229 3475.95 8.698 229 1042.79 2.610 1000
in DMSO-d6
KBr disc
nujol mull
