79-08-3

溴乙酸(79-08-3)质谱(MS)

产品名称:溴乙酸

CAS:79-08-3

分子式:C2H3BrO2

分子量: 138.95

InChI:InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)

InChIKey: KDPAWGWELVVRCH-UHFFFAOYSA-N

Smiles:C(O)(=O)CBr

Mass

MS-NW-1809          
bromoacetic acid
C2H3BrO2            (Mass of molecular ion:    138)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      12.0       1.1
      13.0       3.8
      14.0      11.4
      15.0      37.2
      17.0       1.1
      18.0       1.6
      28.0       6.1
      29.0      11.7
      30.0       1.1
      31.0      11.8
      41.0       4.8
      42.0      19.4
      43.0       1.4
      44.0       5.1
      45.0      40.1
      59.0       2.0
      79.0       6.4
      80.0       3.5
      81.0       6.5
      82.0       3.4
      91.0       3.0
      92.0       4.5
      93.0      35.1
      94.0     100.0
      95.0      33.5
      96.0      93.0
      97.0       1.0
     120.0       1.2
     121.0       3.5
     122.0       1.2
     123.0       3.4
     138.0      41.8
     139.0       1.1
     140.0      40.3
     141.0       1.0

parameter in CDCl3

¹H NMR	300 MHz
C₂ H₃ Br O₂	0.042 g : 0.5 ml CDCl₃
bromoacetic acid

    Parameter     ppm  Hz

      D(A)        10.32
     
      D(B)         3.900

     Hz     ppm     Int.

   3096.00  10.320    151
   1170.03   3.900   1000

in CDCl3

CCl4 solution

KBr disc

liquid film

nujol mull

4880 A,200 M,powder

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