2-N-BUTYL-3-METHYLPYRAZINE(15987-00-5) MS
Product Name2-N-BUTYL-3-METHYLPYRAZINE
CAS15987-00-5
Molecular FormulaC9H14N2
Molecular Weight150.22
InChIInChI=1S/C9H14N2/c1-3-4-5-9-8(2)10-6-7-11-9/h6-7H,3-5H2,1-2H3
InChIKey IRSIKJPEFMMRHD-UHFFFAOYSA-N
SmilesC1(CCCC)=NC=CN=C1C
-
MassMS-NW-6648 2-butyl-3-methylpyrazine C9H14N2 (Mass of molecular ion: 150)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
26.0 2.6 27.0 4.8 28.0 1.3 29.0 1.9 39.0 6.8 40.0 3.3 41.0 5.8 42.0 6.5 43.0 1.2 51.0 1.1 52.0 2.5 53.0 3.4 54.0 2.1 65.0 1.0 66.0 2.2 67.0 6.4 68.0 1.1 80.0 2.7 81.0 1.4 82.0 1.6 93.0 3.4 94.0 1.4 107.0 7.8 108.0 100.0 109.0 7.7 121.0 11.4 122.0 4.1 135.0 6.8 149.0 1.4
90 MHz in CDCl3
-
1H NMR 89.56 MHz C9 H14 N2 0.05 ml : 0.5 ml CDCl3 2-butyl-3-methylpyrazine 
Assign. Shift(ppm)
A *1 8.31 B *1 8.27 C 2.81 D 2.574 E 1.69 F 1.41 G 0.97
Hz ppm Int.746.13 8.332 107 743.50 8.302 259 741.63 8.281 293 738.94 8.251 100 259.88 2.902 93 253.06 2.826 164 244.81 2.734 163 230.56 2.575 1000 162.06 1.810 63 159.38 1.780 60 155.63 1.738 84 153.88 1.719 89 150.88 1.685 75 149.00 1.664 69 148.81 1.662 69 146.81 1.640 95 145.75 1.628 99 144.00 1.608 71 142.88 1.596 72 139.94 1.563 102 138.81 1.550 103 132.81 1.483 99 132.19 1.476 97 130.69 1.460 92 128.25 1.433 60 126.13 1.409 76 125.38 1.400 78 124.13 1.386 97 121.63 1.359 50 117.63 1.314 80 111.00 1.240 40 92.94 1.038 217 86.63 0.968 391 81.88 0.915 75 80.63 0.901 98 80.44 0.899 98 79.19 0.885 109 77.56 0.867 62
in CDCl3
liquid film
