1-(3-三氟甲基苯基)哌嗪(15532-75-9)核磁圖(¹HNMR)

產品名稱:1-(3-三氟甲基苯基)哌嗪

CAS:15532-75-9

分子式:C11H13F3N2

分子量: 230.23

InChI:InChI=1S/C11H13F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2

InChIKey: KKIMDKMETPPURN-UHFFFAOYSA-N

Smiles:N1(C2=CC=CC(C(F)(F)F)=C2)CCNCC1

Mass

MS-NW-8593          
1-(m-(trifluoromethyl)phenyl)piperazine
C11H13F3N2          (Mass of molecular ion:    230)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      27.0       1.6
      28.0       6.4
      29.0       6.1
      30.0       4.1
      41.0       1.2
      42.0       3.3
      43.0       1.0
      51.0       1.0
      55.0       1.0
      56.0      11.2
      57.0       6.0
      75.0       1.9
      95.0       2.3
     105.0       1.2
     119.0       1.0
     125.0       1.3
     127.0       1.6
     145.0      11.3
     146.0       1.0
     159.0       3.5
     172.0      10.6
     173.0       8.0
     174.0       3.3
     175.0       1.0
     188.0     100.0
     189.0      10.3
     211.0       3.1
     230.0      21.5
     231.0       2.9

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₁₃ F₃ N₂	0.05 ml : 0.5 ml CDCl₃
1-(m-(trifluoromethyl)phenyl)piperazine

    Assign.     Shift(ppm)

      A             7.318
      B             7.113
      C             7.06
      D             7.04
      E             3.150
      F             2.997
      G             1.91

     Hz     ppm     Int.

   2934.20   7.342    157
   2926.15   7.322    331
   2917.85   7.302    326
   2843.02   7.114    378
   2827.03   7.074    279
   2826.42   7.073    295
   2818.60   7.053    437
   2817.99   7.052    434
   2809.69   7.031    207
   2807.25   7.025    190
   1264.53   3.165    763
   1259.77   3.153    901
   1257.45   3.147    601
   1254.39   3.139   1000
   1202.64   3.010    955
   1199.58   3.002    569
   1197.27   2.996    856
   1192.38   2.984    741
    762.45   1.908    237

¹H NMR	89.56 MHz
C₁₁ H₁₃ F₃ N₂	0.05 ml : 0.5 ml CDCl₃
1-(m-(trifluoromethyl)phenyl)piperazine

    Assign.     Shift(ppm)

      A             7.33
      B             7.10
      C             7.07
      D             3.15
      E             3.02
      F             1.74
     
     400MHZ:HSP-43-656

     Hz     ppm     Int.

    665.94   7.436     54
    665.06   7.426     71
    664.38   7.419     57
    657.38   7.341    138
    656.69   7.333    148
    653.88   7.302     52
    650.44   7.263    145
    649.69   7.255    174
    648.94   7.246    168
    635.81   7.100    859
    627.81   7.010    213
    297.19   3.319     32
    296.88   3.315     32
    296.06   3.306     35
    294.75   3.292     41
    293.88   3.282     46
    290.06   3.239    219
    288.25   3.219    287
    285.56   3.189    437
    283.75   3.169    449
    281.69   3.146    611
    279.38   3.120    955
    274.06   3.061   1000
    271.69   3.034    544
    269.50   3.010    424
    267.69   2.989    406
    265.00   2.959    254
    263.25   2.940    188
    156.19   1.744    634

in CDCl3