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返回ChemicalBook首页>CAS数据库列表>374-25-4更多图谱> 1-溴-2-氯-1,1,2-三氟-3-丁烯(374-25-4)核磁图(13CNMR)

374-25-4

1-溴-2-氯-1,1,2-三氟-3-丁烯(374-25-4)核磁图(13CNMR)

分子式:C4H3BrClF3

分子量: 223.42

InChI:InChI=1S/C4H3BrClF3/c1-2-3(6,7)4(5,8)9/h2H,1H2

InChIKey: VULPFOSLGWWARI-UHFFFAOYSA-N

Smiles:C=CC(Cl)(F)C(Br)(F)F

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    Mass

    MS-IW-8212          
    4-bromo-3-chloro-3,4,4-trifluoro-1-butene
    C4H3BrClF3          (Mass of molecular ion:    222)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          26.0       1.9
          27.0       3.4
          31.0       4.2
          37.0       3.2
          38.0       3.5
          39.0       5.8
          44.0       1.0
          49.0       1.3
          50.0       2.0
          51.0       3.1
          55.0       1.4
          56.0       3.5
          57.0      10.5
          58.0       2.7
          64.0       3.0
          67.0      13.7
          68.0       1.6
          69.0       5.1
          73.0       3.0
          75.0       3.3
          77.0       5.3
          79.0       1.2
          81.0       1.1
          82.0       1.5
          85.0       1.6
          87.0       1.3
          88.0       3.1
          89.0       3.2
          91.0       1.2
          93.0     100.0
          94.0       3.6
          95.0      34.5
          96.0       1.7
         106.0       1.0
         107.0       2.9
         108.0      19.5
         109.0       1.6
         111.0       1.0
         116.0       2.7
         118.0       1.0
         123.0       4.4
         124.0       4.3
         125.0       2.5
         126.0       2.2
         129.0       2.7
         131.0       2.6
         137.0       3.0
         139.0       2.9
         143.0      54.1
         144.0       2.9
         145.0      17.3
         146.0       1.1
         160.0       1.5
         187.0       5.1
         189.0       5.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C4 H3 Br Cl F3 0.05 ml : 0.5 ml CDCl3
    4-bromo-3-chloro-3,4,4-trifluoro-1-butene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.096 B 5.902 C 5.682

         Hz     ppm     Int.
    

       2461.06   6.159     91
       2460.57   6.157     99
       2460.08   6.156    106
       2459.59   6.155     91
       2450.32   6.132    104
       2449.71   6.130    113
       2449.34   6.129    121
       2448.73   6.128    108
       2444.09   6.116    220
       2443.60   6.115    235
       2443.12   6.114    237
       2433.35   6.089    248
       2432.86   6.088    263
       2432.37   6.087    268
       2427.73   6.075    139
       2427.25   6.074    151
       2426.76   6.073    161
       2426.27   6.071    138
       2416.99   6.048    153
       2416.50   6.047    169
       2416.02   6.046    182
       2415.53   6.045    157
       2365.84   5.920   1000
       2348.88   5.878    675
       2277.34   5.699    407
       2276.73   5.697    446
       2275.76   5.695    444
       2275.15   5.693    427
       2266.48   5.672    369
       2265.87   5.670    400
       2265.01   5.668    402
       2264.53   5.667    383
    

in CDCl3

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liquid film

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