2,3-Dibromopropene(513-31-5) ¹H NMR

Product Name2,3-Dibromopropene

CAS 513-31-5

Molecular FormulaC3H4Br2

Molecular Weight199.87

InChIInChI=1S/C3H4Br2/c1-3(5)2-4/h1-2H2

InChIKey YMFWYDYJHRGGPF-UHFFFAOYSA-N

SmilesC=C(Br)CBr

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Mass

MS-NW-2725          
2,3-dibromopropene
C3H4Br2             (Mass of molecular ion:    198)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      26.0       2.3
      27.0       1.2
      36.0       1.1
      37.0       7.7
      38.0      14.9
      39.0     100.0
      40.0      13.9
      77.0       1.2
      79.0       4.9
      80.0       1.6
      81.0       5.0
      82.0       1.6
      93.0       8.2
      95.0       7.5
     105.0       1.0
     107.0       1.1
     117.0       1.3
     119.0      88.5
     120.0       3.3
     121.0      86.1
     122.0       3.0
     123.0       1.0
     157.0       1.1
     159.0       1.2
     198.0      19.6
     199.0       1.1
     200.0      38.3
     201.0       1.5
     202.0      18.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₃ H₄ Br₂	0.05 ml : 0.5 ml CDCl₃
2,3-dibromopropene

    Assign.     Shift(ppm)

      A             6.03
      B             5.63
      C             4.19
     
     J(A,B)=-2.1HZ
     J(A,C)=-1.0HZ
     J(B,C)=-0.2HZ

     Hz     ppm     Int.

    542.06   6.053    228
    541.06   6.042    436
    539.94   6.029    294
    538.94   6.018    449
    537.88   6.006    218
    505.13   5.641    510
    503.00   5.617    508
    375.56   4.194    962
    374.69   4.184   1000

in CDCl3