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ISOAMYL HEXANOATE

Product Name ISOAMYL HEXANOATE

CAS2198-61-0

MFC11H22O2

MW186.29

¹³CNMR

Mass

MS-NW-8472          
isopentyl hexanoate
C11H22O2            (Mass of molecular ion:    186)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      27.0       8.3
      28.0       3.4
      29.0      12.8
      39.0       4.9
      41.0      18.9
      42.0      13.9
      43.0      73.0
      44.0       2.7
      45.0       1.9
      53.0       1.2
      54.0       1.0
      55.0      31.7
      56.0       3.5
      57.0       3.0
      60.0       5.3
      61.0       1.6
      69.0       6.0
      70.0     100.0
      71.0      45.9
      72.0       2.6
      73.0       4.5
      85.0       1.6
      87.0       3.3
      89.0       1.2
      99.0      43.8
     100.0       3.2
     113.0       2.2
     115.0       1.4
     116.0       1.3
     117.0      10.1
     143.0       2.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₂₂ O₂	0.04 ml : 0.5 ml CDCl₃
isopentyl hexanoate

    Assign.     Shift(ppm)

      A             4.099
      B             2.28
      C             1.62
      D             1.55
      E             1.31
      F             0.924
      G             0.90

     Hz     ppm     Int.

    373.75   4.174    162
    367.00   4.098    273
    360.44   4.025    155
    212.69   2.375     59
    211.56   2.363     60
    204.94   2.289    160
    197.81   2.209    113
    197.25   2.203    127
    153.38   1.713     75
    152.50   1.703     83
    151.81   1.696     75
    149.13   1.666     45
    146.56   1.637     92
    144.88   1.618    137
    143.44   1.602    111
    141.94   1.585     70
    140.75   1.572     82
    139.94   1.563     84
    138.31   1.545    200
    135.00   1.508     49
    134.69   1.504     49
    132.75   1.483     87
    131.69   1.471    147
    127.50   1.424     44
    125.75   1.405     77
    124.38   1.389     88
    122.69   1.370    170
    119.94   1.340    133
    118.56   1.324    134
    117.25   1.310    119
    117.13   1.308    119
    115.63   1.292    165
    112.88   1.261     94
    112.56   1.257     92
    108.69   1.214     68
     87.56   0.978    108
     85.50   0.955   1000
     79.63   0.890    839
     75.50   0.844     56
     74.19   0.829     85
     72.81   0.813     64

in CDCl3

CCl4 solution

liquid film

4880 A,200 M,liquid

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