2-Methylpyrazine(109-08-0) MS
Product Name2-Methylpyrazine
CAS109-08-0
Molecular FormulaC5H6N2
Molecular Weight94.11
InChIInChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3
InChIKey CAWHJQAVHZEVTJ-UHFFFAOYSA-N
SmilesC1(C)=NC=CN=C1
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MassMS-NW-1147 2-methylpyrazine C5H6N2 (Mass of molecular ion: 94)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 1.3 26.0 13.7 27.0 2.1 28.0 4.0 37.0 3.0 38.0 5.3 39.0 14.0 40.0 14.7 41.0 6.2 42.0 10.5 51.0 2.4 52.0 4.8 53.0 14.5 64.0 1.2 66.0 2.7 67.0 46.9 68.0 2.5 93.0 1.7 94.0 100.0 95.0 6.0
90 MHz in CDCl3
parameter in CDCl3
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1H NMR 89.56 MHz C5 H6 N2 0.02 ml : 0.5 ml CDCl3 2-methylpyrazine 
Assign. Shift(ppm)
A 8.50 to 8.42 B 8.38 C 2.572
Hz ppm Int.758.94 8.475 374 757.19 8.455 281 755.63 8.438 104 754.00 8.419 29 751.88 8.396 139 751.19 8.388 125 750.06 8.375 110 748.88 8.362 66 230.38 2.573 1000
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1H NMR 300 MHz C5 H6 N2 10 mol% in CDCl3 2-methylpyrazine Parameter ppm Hz
D(A) 8.568 D(B) 8.376 D(C) 8.453 D(D) 2.566 J(A,B) -0.20 J(A,C) 1.48 J(A,D) 0.21 J(B,C) 2.56 J(B,D) 0.45 J(C,D) 0.70 COX,R.H. & BOTHNER-BY,A.A. J.PHYS.CHEM. 72, 1646 (1968)
Hz ppm Int.2571.16 8.571 239 2569.71 8.566 257 2538.34 8.461 76 2537.62 8.459 98 2536.83 8.456 109 2535.83 8.453 128 2535.10 8.450 128 2534.32 8.448 115 2533.70 8.446 89 2513.97 8.380 192 2511.51 8.372 160 769.85 2.566 1000
in CDCl3
liquid film
4880 A,200 M,liquid
