1-(2-氯苯基)哌嗪(39512-50-0)Raman光譜

產(chǎn)品名稱:1-(2-氯苯基)哌嗪

CAS:39512-50-0

分子式:C10H13ClN2

分子量: 196.68

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

InChIKey: PWZDJIUQHUGFRJ-UHFFFAOYSA-N

Smiles:N1(C2=CC=CC=C2Cl)CCNCC1

Mass

MS-NW-8604          
1-(o-chlorophenyl)piperazine
C10H13ClN2          (Mass of molecular ion:    196)

   Source Temperature: 250 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      27.0       1.8
      28.0       6.8
      29.0       5.6
      30.0       3.7
      39.0       1.2
      41.0       1.5
      42.0       3.7
      43.0       1.0
      44.0       1.1
      50.0       1.8
      51.0       3.2
      54.0       1.0
      56.0      12.9
      57.0       9.4
      63.0       1.3
      75.0       5.2
      76.0       1.4
      77.0       6.7
      78.0       1.0
      89.0       1.0
      91.0       2.1
      98.0       1.0
     104.0       1.8
     111.0       6.8
     113.0       2.3
     117.0       1.4
     118.0       1.8
     119.0       1.2
     125.0       5.0
     127.0       1.8
     132.0       4.4
     138.0      11.7
     139.0      12.9
     140.0       9.8
     141.0       5.7
     142.0       2.1
     154.0     100.0
     155.0       9.4
     156.0      32.4
     157.0       3.0
     160.0       4.1
     161.0      11.5
     162.0       1.4
     196.0      18.6
     197.0       2.4
     198.0       6.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₃ Cl N₂	0.05 ml : 0.5 ml CDCl₃
1-(o-chlorophenyl)piperazine

    Assign.     Shift(ppm)

      A             7.337
      B             7.196
      C             7.016
      D             6.942
      E             3.01
      F             2.02

     Hz     ppm     Int.

   2937.50   7.351    280
   2935.91   7.347    321
   2929.57   7.331    316
   2927.98   7.327    353
   2885.13   7.220    150
   2883.54   7.216    156
   2877.81   7.201    192
   2877.08   7.200    235
   2876.22   7.197    229
   2875.61   7.196    242
   2869.75   7.181    217
   2868.16   7.177    219
   2808.47   7.028    272
   2807.01   7.024    334
   2800.42   7.008    241
   2798.95   7.004    269
   2782.71   6.963    209
   2781.13   6.959    209
   2775.27   6.945    211
   2774.78   6.944    253
   2773.80   6.941    237
   2773.32   6.940    253
   2767.46   6.925    172
   2765.87   6.921    167
   1212.89   3.035    199
   1211.06   3.031    272
   1208.86   3.025    386
   1206.05   3.018    509
   1202.76   3.010   1000
   1197.39   2.997    750
   1191.65   2.982    380
    808.72   2.024    150

in CDCl3