1011-16-1

1-(2-FLUOROPHENYL)PIPERAZINE HYDROCHLORIDE(1011-16-1) ¹³C NMR

Product Name1-(2-FLUOROPHENYL)PIPERAZINE HYDROCHLORIDE

CAS 1011-16-1

Molecular FormulaC10H14ClFN2

Molecular Weight216.68

InChIInChI=1S/C10H13FN2.ClH/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13;/h1-4,12H,5-8H2;1H

InChIKey JVQOFQHGEFLRRQ-UHFFFAOYSA-N

SmilesN1(CCNCC1)C1C=CC=CC=1F.Cl

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1-(2-FLUOROPHENYL)PIPERAZINE HYDROCHLORIDE(1011-16-1) <sup>13</sup>C NMR
Mass

MS-IW-2175          
1-(o-fluorophenyl)piperazine hydrochloride
C10H13FN2 HCl       (Mass of molecular ion:    180)

   Source Temperature: 130 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      27.0       1.2
      28.0       4.5
      29.0       4.4
      30.0       2.8
      35.0       1.1
      36.0      11.8
      38.0       3.9
      42.0       2.3
      56.0       8.8
      57.0       5.8
      75.0       2.8
      77.0       2.3
      90.0       1.7
      95.0       5.4
     109.0       4.8
     122.0      10.7
     123.0       9.7
     124.0       4.7
     125.0       1.3
     138.0     100.0
     139.0       9.3
     180.0      34.6
     181.0       4.1

400 MHz in CDCl3

1-(2-FLUOROPHENYL)PIPERAZINE HYDROCHLORIDE(1011-16-1) <sup>13</sup>C NMR

¹H NMR	399.65 MHz
C₁₀ H₁₃ F N₂	0.041 g : 0.5 ml CDCl₃
1-(o-fluorophenyl)piperazine hydrochloride

    Assign.     Shift(ppm)

      A             9.85
      B          7.06 to 6.95
      C             3.44
      D             3.3

     Hz     ppm     Int.

   3937.38   9.853    126
   2837.07   7.099     64
   2834.93   7.094     84
   2829.28   7.080    166
   2827.61   7.076    211
   2825.32   7.070    118
   2822.72   7.063    131
   2820.43   7.058    265
   2818.91   7.054    230
   2813.26   7.040     91
   2810.82   7.034    132
   2808.99   7.029    182
   2807.46   7.025    241
   2805.18   7.020    284
   2803.96   7.017    241
   2800.75   7.009     83
   2798.61   7.003    111
   2797.09   6.999    112
   2795.56   6.996    102
   2793.73   6.991    164
   2792.05   6.987    115
   2789.15   6.979     61
   2785.03   6.969    201
   2777.25   6.950     98
   2775.88   6.946     85
   1374.05   3.439   1000
   1305.54   3.267     37

in CDCl3