1-(3-Chlorophenyl)piperazine hydrochloride(65369-76-8) IR2

Product Name1-(3-Chlorophenyl)piperazine hydrochloride

CAS 65369-76-8

Molecular FormulaC10H14Cl2N2

Molecular Weight233.14

InChIInChI=1S/C10H13ClN2.ClH/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13;/h1-3,8,12H,4-7H2;1H

InChIKey MHXPYWFZULXYHT-UHFFFAOYSA-N

SmilesC1(=CC=CC(Cl)=C1)N1CCNCC1.Cl

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Mass

MS-NW-8031          
1-(m-chlorophenyl)piperazine hydrochloride
C10H13ClN2 HCl      (Mass of molecular ion:    196)

   Source Temperature: 200 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      15.0       1.2
      27.0       2.1
      28.0       8.6
      29.0       6.7
      30.0       4.5
      35.0       2.0
      36.0      14.2
      38.0       4.7
      39.0       1.1
      41.0       1.6
      42.0       4.2
      43.0       1.3
      50.0       2.1
      51.0       2.7
      54.0       1.0
      55.0       1.0
      56.0      12.4
      57.0       6.7
      63.0       1.4
      74.0       1.0
      75.0       6.0
      76.0       1.6
      77.0       4.1
      89.0       1.0
      91.0       1.1
      98.0       1.6
     104.0       1.0
     111.0       7.7
     112.0       1.6
     113.0       2.7
     117.0       1.1
     118.0       2.4
     119.0       4.2
     125.0       3.1
     127.0       1.3
     138.0       7.9
     139.0       8.3
     140.0       5.7
     141.0       3.8
     142.0       1.1
     154.0     100.0
     155.0       9.5
     156.0      32.4
     157.0       3.1
     196.0      36.5
     197.0       5.0
     198.0      12.0
     199.0       1.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₀ H₁₃ Cl N₂	0.039 g : 0.5 ml DMSO-d₆
1-(m-chlorophenyl)piperazine hydrochloride

    Assign.     Shift(ppm)

      A             9.66
      B             7.264
      C             7.040
      D             6.956
      E             6.871
      F             3.46
      G             3.18

     Hz     ppm     Int.

   3863.37   9.667    215
   2911.68   7.286    324
   2903.59   7.266    543
   2895.36   7.245    405
   2815.70   7.046    315
   2813.57   7.041    541
   2811.43   7.035    360
   2784.88   6.969    271
   2783.20   6.965    225
   2782.44   6.963    223
   2777.10   6.949    219
   2776.49   6.948    227
   2774.81   6.944    205
   2751.31   6.885    278
   2750.55   6.883    305
   2749.33   6.880    289
   2748.72   6.878    269
   2743.38   6.865    261
   2742.77   6.863    266
   2741.55   6.860    272
   1387.79   3.473    619
   1381.68   3.458   1000
   1377.41   3.447    708
   1276.09   3.194    540
   1271.36   3.182    646
   1266.63   3.170    436

in DMSO-d6