Product Name2-ISOBUTOXYETHYLBUTYRATE

CAS

Molecular FormulaC10H19O3-

Molecular Weight187.25606

InChIInChI=1S/C10H20O3/c1-4-9(10(11)12)5-6-13-7-8(2)3/h8-9H,4-7H2,1-3H3,(H,11,12)/p-1

InChIKey FLCCKYRNEIGVLC-UHFFFAOYSA-M

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

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¹HNMR

¹³CNMR

IR1

Mass

MS-IW-3548          
2-isobutoxyethyl butyrate
C10H20O3            (Mass of molecular ion:    188)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       9.5
      28.0       5.3
      29.0      12.4
      31.0       1.7
      39.0       5.4
      40.0       1.0
      41.0      26.6
      42.0       6.1
      43.0      50.8
      44.0       6.0
      45.0       8.8
      55.0       3.5
      56.0      56.6
      57.0     100.0
      58.0       7.5
      60.0       2.1
      70.0       1.8
      71.0      93.1
      72.0       5.9
      73.0       4.9
      74.0       1.8
      86.0       2.5
      87.0       6.9
      88.0       5.4
      89.0       8.2
     100.0      13.9
     101.0       3.2
     102.0       1.3
     115.0      36.3
     116.0       8.4
     117.0       3.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₂₀ O₃	0.05 ml : 0.5 ml CDCl₃
2-isobutoxyethyl butyrate

    Assign.     Shift(ppm)

      A             4.225
      B             3.622
      C             3.228
      D             2.317
      E             1.867
      F             1.663
      G             0.953
      J             0.902

     Hz     ppm     Int.

   1693.73   4.239    192
   1690.06   4.229    115
   1688.96   4.227    204
   1687.74   4.224    119
   1683.96   4.214    208
   1452.51   3.635    232
   1448.85   3.626    122
   1447.51   3.622    216
   1446.53   3.620    136
   1445.80   3.618    106
   1442.75   3.611    214
   1293.58   3.237    450
   1286.87   3.220    450
    933.72   2.337    192
    926.39   2.319    338
    924.07   2.313     45
    918.82   2.300    213
    759.89   1.902     39
    753.30   1.885     79
    746.58   1.869    100
    739.87   1.852     83
    733.15   1.835     44
    676.03   1.692    127
    668.58   1.673    224
    661.13   1.655    222
    653.81   1.636    127
    646.48   1.618     32
    388.31   0.972    342
    380.98   0.954    607
    375.49   0.940     36
    373.54   0.935    310
    364.01   0.911   1000
    359.86   0.901     72
    357.30   0.895    945
    352.66   0.883     58

in CDCl3

liquid film

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