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373-88-6

2,2,2-三氟乙胺盐酸盐(373-88-6)核磁图(1HNMR)

分子式:C2H5ClF3N

分子量: 135.52

InChI:InChI=1S/C2H4F3N.ClH/c3-2(4,5)1-6;/h1,6H2;1H

InChIKey: ZTUJDPKOHPKRMO-UHFFFAOYSA-N

Smiles:C(F)(F)(F)CN.Cl

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    Mass

    MS-NW-8029          
    2,2,2-trifluoroethylamine hydrochloride
    C2H4F3N HCl         (Mass of molecular ion:     99)
    

       Source Temperature: 170 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          27.0       2.3
          28.0      32.6
          29.0       4.6
          30.0     100.0
          31.0       4.4
          33.0       4.5
          35.0       7.0
          36.0      16.8
          37.0       2.3
          38.0       7.0
          48.0       9.2
          50.0       4.3
          51.0       3.2
          60.0       2.9
          64.0       1.4
          69.0       6.8
          77.0       2.8
          78.0       7.5
          79.0       1.4
          80.0       1.6
          98.0       3.4
          99.0       8.7
    

400 MHz in D2O

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    1H NMR 399.65 MHz
    C2 H4 F3 N 0.038 g : 0.5 ml D2O
    2,2,2-trifluoroethylamine hydrochloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.862 THE SOLVENT SIGNAL REMOVED.

         Hz     ppm     Int.
    

       1557.25   3.897    330
       1552.73   3.886     25
       1548.34   3.875    981
       1539.31   3.852   1000
       1530.27   3.830    356
    

KBr disc

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nujol mull

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