1-[4-(4-METHYLPIPERAZINO)PHENYL]-1-ETHANONE(26586-55-0) MS

Product Name1-[4-(4-METHYLPIPERAZINO)PHENYL]-1-ETHANONE

CAS 26586-55-0

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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1-[4-(4-METHYLPIPERAZINO)PHENYL]-1-ETHANONE(26586-55-0) MS
Mass

MS-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

1-[4-(4-METHYLPIPERAZINO)PHENYL]-1-ETHANONE(26586-55-0) MS

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

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