Product Name2-Isobutoxyethylpropionate

CAS

Molecular FormulaC9H17O3-

Molecular Weight173.22948

InChIInChI=1S/C9H18O3/c1-7(2)6-12-5-4-8(3)9(10)11/h7-8H,4-6H2,1-3H3,(H,10,11)/p-1

InChIKey BPNNZXWWCPFNBX-UHFFFAOYSA-M

SmilesC([O-])(=O)C(CCOCC(C)C)C

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Mass

MS-NW-2189          
2-isobutoxyethyl propionate
C9H18O3             (Mass of molecular ion:    174)

   Source Temperature: 280 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       1.6
      18.0       1.4
      26.0       1.6
      27.0      10.9
      28.0       7.1
      29.0      38.0
      30.0       1.3
      31.0       3.2
      39.0       3.8
      41.0      18.8
      42.0       2.1
      43.0       7.9
      44.0       4.0
      45.0      11.0
      55.0       2.0
      56.0      31.8
      57.0     100.0
      58.0       4.8
      71.0       4.6
      72.0       2.2
      73.0       3.9
      74.0       2.7
      75.0       6.5
      87.0       2.4
      88.0       3.1
     100.0       6.3
     101.0      27.5
     102.0       5.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₈ O₃	0.04 ml : 0.5 ml CDCl₃
2-isobutoxyethyl propionate

    Assign.     Shift(ppm)

      A             4.23
      B             3.63
      C             3.230
      D             2.36
      E             1.87
      F             1.15
      G             0.906

     Hz     ppm     Int.

    383.69   4.285    197
    379.06   4.233    147
    377.44   4.215     83
    374.06   4.177    180
    329.31   3.677    200
    326.56   3.647     73
    325.94   3.640    100
    324.44   3.623    155
    323.56   3.613    114
    322.88   3.606     78
    321.44   3.590     38
    319.50   3.568    128
    292.88   3.271    426
    286.19   3.196    498
    223.63   2.497     52
    222.88   2.489     48
    215.44   2.406    191
    208.69   2.331    143
    207.94   2.322    228
    201.00   2.245     76
    200.31   2.237     75
    174.44   1.948     42
    167.56   1.871     55
    161.06   1.799     49
    110.06   1.229    296
    108.56   1.213     74
    102.75   1.148    714
    102.25   1.142    405
     95.44   1.066    156
     94.94   1.061    214
     86.75   0.969     38
     83.94   0.938   1000
     80.31   0.897     51
     77.44   0.865    760

in CDCl3

CCl4 solution

liquid film

4880 A,200 M,liquid

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