1-BROMO-2-CHLORO-1,1,2-TRIFLUORO-3-BUTENE(374-25-4) ¹³C NMR

Product Name1-BROMO-2-CHLORO-1,1,2-TRIFLUORO-3-BUTENE

CAS 374-25-4

Molecular FormulaC4H3BrClF3

Molecular Weight223.42

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

InChIKey VULPFOSLGWWARI-UHFFFAOYSA-N

SmilesC=CC(Cl)(F)C(Br)(F)F

Request For Quotation

¹HNMR

¹³CNMR

IR1

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

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

    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