2-(1-Piperazinyl)pyrimidine(20980-22-7) MS
Product Name2-(1-Piperazinyl)pyrimidine
CAS20980-22-7
Molecular FormulaC8H12N4
Molecular Weight164.21
InChIInChI=1S/C8H12N4/c1-2-10-8(11-3-1)12-6-4-9-5-7-12/h1-3,9H,4-7H2
InChIKey MRBFGEHILMYPTF-UHFFFAOYSA-N
SmilesC1(N2CCNCC2)=NC=CC=N1
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MassMS-IW-3591 1-(2-pyrimidinyl)piperazine C8H12N4 (Mass of molecular ion: 164)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 1.0 26.0 1.3 27.0 2.8 28.0 10.6 29.0 5.7 30.0 5.3 39.0 1.1 40.0 1.6 41.0 2.8 42.0 7.0 43.0 1.9 52.0 3.2 53.0 9.9 54.0 4.6 55.0 3.2 56.0 13.7 57.0 6.5 66.0 1.1 67.0 1.4 67.5 1.2 68.0 2.8 69.0 15.6 70.0 1.3 79.0 9.7 80.0 22.8 81.0 9.6 82.0 1.4 85.0 1.0 93.0 1.0 94.0 2.8 95.0 3.8 96.0 49.5 97.0 2.8 106.0 1.1 107.0 1.1 108.0 36.9 109.0 21.7 110.0 2.5 120.0 7.2 121.0 8.7 122.0 100.0 123.0 7.8 134.0 10.3 135.0 2.1 136.0 1.4 163.0 1.5 164.0 28.0 165.0 2.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H12 N4 0.05 ml : 0.5 ml CDCl3 1-(2-pyrimidinyl)piperazine 
Assign. Shift(ppm)
A 8.291 B 6.451 C 3.782 D 2.901 E 2.15
Hz ppm Int.3321.78 8.312 21 3316.04 8.298 964 3311.40 8.286 1000 3307.50 8.276 26 2583.01 6.464 326 2578.25 6.452 596 2573.61 6.440 324 1517.09 3.797 714 1511.96 3.784 759 1506.84 3.771 812 1164.79 2.915 716 1159.67 2.902 743 1154.54 2.889 754 858.03 2.147 374
in CDCl3
liquid film
