Isopropyl chloroacetate(105-48-6) ¹H NMR

Product NameIsopropyl chloroacetate

CAS 105-48-6

Molecular FormulaC5H9ClO2

Molecular Weight136.58

InChIInChI=1S/C5H9ClO2/c1-4(2)8-5(7)3-6/h4H,3H2,1-2H3

InChIKey VODRWDBLLGYRJT-UHFFFAOYSA-N

SmilesC(OC(C)C)(=O)CCl

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¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9107          
isopropyl chloroacetate
C5H9ClO2            (Mass of molecular ion:    136)

   Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      14.0       1.3
      15.0       2.8
      26.0       1.1
      27.0      15.3
      28.0       2.4
      29.0       2.2
      31.0       1.5
      36.0       1.4
      38.0       1.6
      39.0       9.1
      40.0       2.7
      41.0      30.4
      42.0      18.1
      43.0     100.0
      44.0       3.6
      45.0       8.2
      48.0       1.0
      49.0      17.8
      50.0       4.2
      51.0       5.9
      52.0       1.2
      59.0       9.3
      76.0       1.0
      77.0      78.5
      78.0       2.3
      79.0      25.1
      85.0       1.1
      95.0       6.8
      97.0       2.2
     121.0      29.9
     122.0       1.3
     123.0       9.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₅ H₉ Cl O₂	0.05 ml : 0.5 ml CDCl₃
isopropyl chloroacetate

    Assign.     Shift(ppm)

      A             5.091
      B             4.039
      C             1.288

     Hz     ppm     Int.

   2047.24   5.123     52
   2041.02   5.108    127
   2034.67   5.092    166
   2028.44   5.076    129
   2022.22   5.060     53
   1614.38   4.040    842
   1611.45   4.033     37
    525.51   1.315     28
    518.07   1.297   1000
    511.84   1.281    946
    504.27   1.262     22

in CDCl3