1113-59-3

3-溴丙酮酸(1113-59-3)红外图谱(IR2)

产品名称:3-溴丙酮酸

CAS:1113-59-3

分子式:C3H3BrO3

分子量: 166.96

InChI:InChI=1S/C3H3BrO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)

InChIKey: PRRZDZJYSJLDBS-UHFFFAOYSA-N

Smiles:C(O)(=O)C(=O)CBr

¹HNMR

IR1

IR2

Mass

MS-NW-9645          
3-bromopyruvic acid
C3H3BrO3 (H2O)      (Mass of molecular ion:    166)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      13.0       1.1
      14.0       4.8
      15.0      10.2
      16.0       1.6
      17.0       2.7
      18.0      12.6
      26.0       1.3
      27.0       1.1
      28.0      12.9
      29.0       5.5
      31.0       1.7
      36.0       1.2
      40.0       1.1
      41.0       4.1
      42.0      60.9
      43.0      46.8
      44.0      85.1
      45.0      21.9
      46.0       1.0
      53.0       1.0
      55.0       1.4
      71.0       5.0
      77.0       1.5
      79.0      14.9
      80.0      40.0
      81.0      15.0
      82.0      39.2
      84.0       1.0
      87.0       1.7
      88.0       1.2
      92.0       1.6
      93.0      28.2
      94.0       5.4
      95.0      27.0
      96.0       3.9
     120.0       3.0
     121.0     100.0
     122.0       5.9
     123.0      96.5
     124.0       3.1
     166.0       1.3
     169.0       1.2
     207.0       1.2

400 MHz in D2O

¹H NMR	399.65 MHz
C₃ H₃ Br O₃	0.037 g : 0.5 ml D₂O
3-bromopyruvic acid

    Assign.     Shift(ppm)

      B             3.667
     
     THE SOLVENT SIGNAL REMOVED.

     Hz     ppm     Int.

   1465.82   3.668   1000

KBr disc

nujol mull

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