Ethyl 2-chloroacetoacetate(609-15-4) ¹H NMR

Product NameEthyl 2-chloroacetoacetate

CAS 609-15-4

Molecular FormulaC6H9ClO3

Molecular Weight164.59

InChIInChI=1S/C6H9ClO3/c1-3-10-6(9)5(7)4(2)8/h5H,3H2,1-2H3

InChIKey RDULEYWUGKOCMR-UHFFFAOYSA-N

SmilesC(OCC)(=O)C(Cl)C(=O)C

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Ethyl 2-chloroacetoacetate(609-15-4) <sup>1</sup>H NMR
Mass

MS-NW-5832          
ethyl 2-chloro-3-oxobutyrate
C6H9ClO3            (Mass of molecular ion:    164)

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

      15.0       4.7
      26.0       1.7
      27.0       8.7
      28.0       1.4
      29.0      16.4
      31.0       2.2
      41.0       1.0
      42.0       2.8
      43.0     100.0
      44.0       2.6
      45.0       2.7
      62.0       1.0
      69.0       1.7
      73.0       1.3
      76.0       5.7
      78.0       1.8
      92.0       1.9
      94.0      14.2
      96.0       4.6
     118.0       4.3
     119.0       3.1
     120.0       1.6
     121.0       1.4
     122.0      13.1
     124.0       4.2
     136.0       1.7
     164.0       1.8

400 MHz in CDCl3

Ethyl 2-chloroacetoacetate(609-15-4) <sup>1</sup>H NMR

¹H NMR	399.65 MHz
C₆ H₉ Cl O₃	0.05 ml : 0.5 ml CDCl₃
ethyl 2-chloro-3-oxobutyrate

    Assign.     Shift(ppm)

      A             4.822
      B             4.304
      C             2.391
      D             1.325

     Hz     ppm     Int.

   1927.12   4.823    406
   1730.35   4.330    122
   1723.39   4.313    333
   1716.19   4.295    345
   1708.98   4.277    137
    955.93   2.392   1000
    952.51   2.384     53
    536.62   1.343    474
    529.42   1.325    744
    526.86   1.319     38
    524.78   1.314     25
    522.34   1.307    418
    519.53   1.300     25
    519.04   1.299     26

in CDCl3