Methyl 3-bromopropionate(3395-91-3) ¹H NMR

Product NameMethyl 3-bromopropionate

CAS 3395-91-3

Molecular FormulaC4H7BrO2

Molecular Weight167

InChIInChI=1S/C4H7BrO2/c1-7-4(6)2-3-5/h2-3H2,1H3

InChIKey KQEVIFKPZOGBMZ-UHFFFAOYSA-N

SmilesC(OC)(=O)CCBr

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Mass

MS-IW-9174          
methyl 3-bromopropionate
C4H7BrO2            (Mass of molecular ion:    166)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      14.0       1.1
      15.0      22.4
      25.0       1.1
      26.0       8.3
      27.0      51.2
      28.0      16.6
      29.0       5.3
      30.0       1.5
      31.0       4.0
      39.0       1.0
      41.0       3.3
      42.0       2.1
      43.0       2.1
      45.0       5.2
      55.0      20.6
      56.0       1.5
      59.0      40.4
      60.0       2.0
      79.0       1.9
      80.0       3.7
      81.0       1.9
      82.0       3.5
      85.0       1.0
      87.0     100.0
      88.0       4.7
      93.0       1.0
      94.0       1.6
      95.0       1.1
      96.0       1.5
     106.0       2.2
     107.0      32.0
     108.0       2.8
     109.0      30.6
     135.0      13.2
     136.0       1.2
     137.0      12.4
     166.0       8.2
     168.0       7.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₄ H₇ Br O₂	0.05 ml : 0.5 ml CDCl₃
methyl 3-bromopropionate

    Assign.     Shift(ppm)

      A             3.733
      B             3.594
      C             2.939

     Hz     ppm     Int.

   1492.19   3.734   1000
   1443.24   3.612    365
   1436.40   3.595    606
   1429.57   3.578    384
   1181.52   2.957    335
   1174.68   2.940    525
   1170.90   2.930     27
   1167.85   2.923    298

in CDCl3