4'-PIPERAZINOACETOPHENONE(51639-48-6) 1H NMR
Product Name4'-PIPERAZINOACETOPHENONE
CAS51639-48-6
Molecular FormulaC12H16N2O
Molecular Weight204.27
InChIInChI=1S/C12H16N2O/c1-10(15)11-2-4-12(5-3-11)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3
InChIKey KPXVKKBJROCIJB-UHFFFAOYSA-N
SmilesC(=O)(C1=CC=C(N2CCNCC2)C=C1)C
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MassMS-NW-7350 4'-(1-piperazinyl)acetophenone C12H16N2O (Mass of molecular ion: 204)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
28.0 2.2 29.0 2.2 30.0 1.5 42.0 1.6 43.0 3.6 50.0 1.0 51.0 1.6 56.0 6.1 57.0 3.4 76.0 1.5 77.0 3.8 78.0 1.5 90.0 1.0 91.0 1.6 102.0 1.3 104.0 2.4 105.0 1.7 118.0 1.6 119.0 2.6 120.0 1.1 132.0 10.9 133.0 2.3 146.0 1.2 147.0 1.1 148.0 2.1 162.0 100.0 163.0 11.8 189.0 1.7 203.0 1.3 204.0 35.5 205.0 5.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C12 H16 N2 O 0.042 g : 0.5 ml CDCl3 4'-(1-piperazinyl)acetophenone 
Assign. Shift(ppm)
A 7.860 B 6.856 C *1 3.292 D *1 3.010 E 2.507 F 2.08 F CONTAINS H2O IN SOLVENT. ASSIGNED BY C-H COSY.
Hz ppm Int.709.00 7.917 158 706.88 7.893 50 702.00 7.839 51 699.81 7.814 190 618.31 6.904 149 616.13 6.880 46 611.38 6.827 41 609.13 6.802 120 301.13 3.363 64 297.44 3.322 118 294.13 3.285 101 291.75 3.258 110 290.31 3.242 100 274.81 3.069 90 273.44 3.054 106 271.13 3.028 101 267.69 2.989 117 264.06 2.949 68 263.50 2.943 65 224.63 2.509 1000 186.13 2.079 208
in CDCl3
KBr disc
nujol mull
