Ethyl 2-bromoisobutyrate(600-00-0) ¹³C NMR

Product NameEthyl 2-bromoisobutyrate

CAS 600-00-0

Molecular FormulaC6H11BrO2

Molecular Weight195.05

InChIInChI=1S/C6H11BrO2/c1-4-9-5(8)6(2,3)7/h4H2,1-3H3

InChIKey IOLQWGVDEFWYNP-UHFFFAOYSA-N

SmilesC(OCC)(=O)C(Br)(C)C

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Mass

MS-NW-1320          
ethyl 2-bromo-2-methylpropionate
C6H11BrO2           (Mass of molecular ion:    194)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       3.9
      18.0       1.2
      26.0       4.0
      27.0      22.6
      28.0       3.5
      29.0      74.8
      30.0       1.7
      31.0       3.2
      32.0       1.0
      38.0       1.6
      39.0      19.1
      40.0       5.4
      41.0     100.0
      42.0      20.7
      43.0       8.3
      45.0       9.2
      59.0      37.8
      60.0       1.3
      69.0       8.4
      70.0       6.9
      71.0       2.5
      77.0       1.6
      86.0       1.0
      87.0      43.6
      88.0       2.7
     115.0      70.8
     116.0       5.0
     120.0       4.1
     121.0      65.4
     122.0       6.2
     123.0      64.2
     124.0       2.0
     149.0       4.1
     151.0       3.9
     194.0       2.0
     196.0       1.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₁ Br O₂	0.04 ml : 0.5 ml CDCl₃
ethyl 2-bromo-2-methylpropionate

    Assign.     Shift(ppm)

      A             4.234
      B             1.932
      C             1.314

     Hz     ppm     Int.

    390.13   4.357     27
    383.00   4.277    106
    375.88   4.197    112
    368.81   4.119     32
    173.06   1.933   1000
    170.94   1.909     36
    124.50   1.391    109
    117.50   1.312    235
    110.31   1.232     97

in CDCl3