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Back ChemicalBook Home>CAS DataBase List>15532-75-9More Spectrum> N-(3-Trifluoromethylphenyl)piperazine(15532-75-9) IR1

N-(3-Trifluoromethylphenyl)piperazine(15532-75-9) IR1

Molecular FormulaC11H13F3N2

Molecular Weight230.23

InChIInChI=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

SmilesN1(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
    ChemicalStructure
        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
    ChemicalStructure
        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



liquid film



4880 A,200 M,liquid



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