1-Acetylpiperazine(13889-98-0) MS
Product Name1-Acetylpiperazine
CAS13889-98-0
Molecular FormulaC6H12N2O
Molecular Weight128.17
InChIInChI=1S/C6H12N2O/c1-6(9)8-4-2-7-3-5-8/h7H,2-5H2,1H3
InChIKey PKDPUENCROCRCH-UHFFFAOYSA-N
SmilesC(=O)(N1CCNCC1)C
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MassMS-IW-9312 1-acetylpiperazine C6H12N2O (Mass of molecular ion: 128)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
14.0 1.0 15.0 7.5 18.0 1.9 26.0 2.2 27.0 7.3 28.0 26.7 29.0 17.0 30.0 20.1 31.0 1.3 40.0 1.8 41.0 6.6 42.0 19.9 43.0 43.6 44.0 100.0 45.0 3.4 54.0 4.6 55.0 13.6 56.0 95.9 57.0 33.0 58.0 14.2 60.0 1.4 68.0 2.9 69.0 86.8 70.0 6.3 71.0 2.0 72.0 1.2 73.0 4.5 74.0 5.1 83.0 3.3 84.0 2.9 85.0 41.9 86.0 10.7 87.0 1.3 99.0 1.4 113.0 1.2 126.0 1.0 128.0 18.6 129.0 3.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H12 N2 O 0.05 ml : 0.5 ml CDCl3 1-acetylpiperazine 
Assign. Shift(ppm)
A *1 3.571 B *1 3.438 C *2 2.866 D *2 2.823 E 2.090 F 1.92
Hz ppm Int.1432.50 3.585 148 1427.37 3.572 161 1422.12 3.559 148 1379.39 3.452 160 1374.39 3.439 167 1369.14 3.426 167 1150.51 2.879 182 1145.39 2.866 183 1140.26 2.854 168 1137.08 2.846 32 1133.54 2.837 185 1128.42 2.824 178 1123.29 2.811 161 835.57 2.091 1000 767.82 1.922 66
in CDCl3
liquid film
