2-(BROMOMETHYL)ACRYLIC ACID(72707-66-5) MS

Product Name2-(BROMOMETHYL)ACRYLIC ACID

CAS 72707-66-5

Molecular FormulaC4H5BrO2

Molecular Weight164.99

InChIInChI=1S/C4H5BrO2/c1-3(2-5)4(6)7/h1-2H2,(H,6,7)

InChIKey NOOYFQLPKUQDNE-UHFFFAOYSA-N

SmilesC(O)(=O)C(CBr)=C

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Mass

MS-NW-7115          
2-(bromomethyl)acrylic acid
C4H5BrO2            (Mass of molecular ion:    164)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       1.4
      26.0       1.8
      27.0       2.7
      28.0       2.2
      29.0      11.1
      31.0       3.2
      37.0       4.3
      38.0       8.0
      39.0      50.0
      40.0      16.9
      41.0      10.3
      44.0       2.1
      45.0      12.6
      53.0       1.0
      55.0       1.4
      57.0       9.5
      67.0       1.7
      68.0       1.2
      79.0       1.3
      80.0       1.7
      81.0       1.5
      82.0       1.6
      85.0     100.0
      86.0       5.1
      93.0       1.1
      95.0       1.0
     119.0       2.4
     121.0       2.4
     147.0       1.0
     164.0      18.3
     166.0      18.4
     167.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₄ H₅ Br O₂	0.049 g : 0.5 ml CDCl₃
2-(bromomethyl)acrylic acid

    Assign.     Shift(ppm)

      A            12.1
      B             6.505
      C             6.108
      D             4.179

     Hz     ppm     Int.

   1082.56  12.088    256
    585.58   6.539     73
    582.68   6.507    584
    579.94   6.476     27
    547.13   6.110    407
    544.14   6.076     26
    374.69   4.184   1000
    370.51   4.138     32

in CDCl3