1-[4-(4-METHYLPIPERAZINO)PHENYL]-1-ETHANONE(26586-55-0) MS
Product Name1-[4-(4-METHYLPIPERAZINO)PHENYL]-1-ETHANONE
CAS26586-55-0
Molecular FormulaC13H18N2O
Molecular Weight218.29
InChIInChI=1S/C13H18N2O/c1-11(16)12-3-5-13(6-4-12)15-9-7-14(2)8-10-15/h3-6H,7-10H2,1-2H3
InChIKey IRIZGAMYKHTLKS-UHFFFAOYSA-N
SmilesC(=O)(C1=CC=C(N2CCN(C)CC2)C=C1)C
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MassMS-NW-7347 4'-(4-methyl-1-piperazinyl)acetophenone C13H18N2O (Mass of molecular ion: 218)
Source Temperature: 150 °C Sample Temperature: 130 °C Direct, 75 eV
15.0 1.2 27.0 2.1 28.0 3.1 29.0 1.2 30.0 1.2 39.0 1.7 41.0 2.6 42.0 24.2 43.0 68.2 44.0 7.0 50.0 2.4 51.0 4.1 52.0 1.1 54.0 1.5 55.0 1.3 56.0 6.7 57.0 6.5 58.0 4.8 63.0 2.2 65.0 2.0 70.0 45.7 71.0 43.9 72.0 2.2 75.0 1.4 76.0 3.6 77.0 9.2 78.0 3.7 89.0 2.2 90.0 2.5 91.0 4.0 99.0 1.1 101.0 3.4 101.5 1.2 102.0 1.1 103.0 2.2 104.0 5.7 105.0 3.4 109.0 5.5 117.0 1.8 118.0 2.6 119.0 2.8 130.0 1.5 131.0 1.3 132.0 40.9 133.0 9.5 134.0 2.2 146.0 4.1 147.0 16.3 148.0 11.8 149.0 1.4 160.0 1.8 161.0 2.7 162.0 3.7 174.0 9.0 175.0 8.7 176.0 10.6 177.0 1.4 189.0 1.9 203.0 12.3 204.0 1.8 216.0 2.6 217.0 11.9 218.0 100.0 219.0 16.2 220.0 1.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C13 H18 N2 O 0.042 g : 0.5 ml CDCl3 4'-(4-methyl-1-piperazinyl)acetophenone 
Assign. Shift(ppm)
A 7.864 B 6.866 C 3.360 D 2.54 E 2.509 F 2.343
Hz ppm Int.709.25 7.920 153 707.19 7.897 41 702.31 7.842 44 700.13 7.818 182 619.00 6.912 154 616.88 6.888 39 611.94 6.833 35 609.88 6.810 122 306.50 3.423 118 301.63 3.368 136 299.94 3.350 76 296.31 3.309 157 235.00 2.624 38 232.81 2.600 155 232.69 2.599 155 229.38 2.562 78 227.50 2.541 147 224.75 2.510 1000 222.50 2.485 135 220.19 2.459 40 209.94 2.345 690
in CDCl3
KBr disc
nujol mull
