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68698-58-8

2-OCTYNOIC ACID CIS-3-HEXEN-1-YL ESTER

Product Name 2-OCTYNOIC ACID CIS-3-HEXEN-1-YL ESTER

CAS68698-58-8

MFC14H22O2

MW222.32

More

  • 68698-58-8_ms_1
    Mass

    MS-IW-7359          
    cis-3-hexenyl 2-octynoate
    C14H22O2            (Mass of molecular ion:    222)
    

       Source Temperature: 230 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          18.0       1.1
          27.0       7.8
          28.0       2.7
          29.0      12.2
          38.0       1.3
          39.0      12.9
          40.0       2.6
          41.0      26.9
          42.0       2.8
          43.0       2.8
          44.0       6.7
          50.0       1.2
          51.0       2.7
          52.0       2.0
          53.0       8.8
          54.0       8.3
          55.0      24.3
          56.0       2.7
          57.0       3.1
          65.0       3.8
          66.0       5.9
          67.0      84.3
          68.0       7.0
          69.0       1.5
          77.0       3.0
          79.0       6.6
          80.0       1.8
          81.0      13.5
          82.0     100.0
          83.0       9.0
          91.0       1.5
          93.0       3.2
          95.0       4.1
         123.0      28.3
         124.0       2.6
         141.0       3.8
    

400 MHz in CDCl3

  • cb4505846_1hnmr_0

    1H NMR 399.65 MHz
    C14 H22 O2 0.05 ml : 0.5 ml CDCl3
    cis-3-hexenyl 2-octynoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.525 B 5.319 C 4.143 D 2.417 E 2.324 F 2.062 G 1.580 J 1.38 K 1.33 L 0.976 M 0.907

         Hz     ppm     Int.
    

       2221.80   5.560     40
       2215.94   5.545     45
       2214.48   5.542     81
       2212.77   5.537     58
       2210.94   5.533     54
       2209.47   5.529     36
       2207.15   5.523     47
       2205.32   5.519     66
       2203.74   5.515    102
       2202.27   5.511     57
       2197.88   5.500     30
       2196.41   5.496     52
       2137.82   5.350     50
       2131.96   5.335     57
       2130.49   5.331    103
       2128.78   5.327     70
       2127.08   5.323     45
       2124.76   5.317     38
       2123.17   5.313     55
       2121.34   5.308     64
       2119.63   5.304     80
       2118.16   5.301     45
       2112.30   5.286     40
       1662.72   4.161    316
       1659.06   4.152     33
       1655.76   4.144    615
       1648.68   4.126    323
        977.17   2.446     71
        976.44   2.444     71
        975.71   2.442     72
        970.21   2.428    193
        969.48   2.426    193
        968.75   2.424    195
        962.89   2.410    193
        962.16   2.408    189
        961.55   2.406    186
        955.81   2.392     70
        955.20   2.391     69
        954.47   2.389     67
        936.04   2.343    308
        928.83   2.325    611
        921.63   2.307    328
        840.21   2.103     34
        839.48   2.101     32
        838.75   2.099     35
        832.76   2.084    133
        831.91   2.082    123
        831.18   2.080    131
        825.32   2.066    197
        824.46   2.063    183
        823.73   2.062    195
        817.75   2.047    139
        817.02   2.045    129
        816.28   2.043    138
        810.30   2.028     39
        809.57   2.026     36
        808.84   2.024     39
        647.09   1.620     42
        640.38   1.603    125
        632.69   1.584    176
        625.24   1.565    163
        618.04   1.547     70
        569.95   1.427     35
        568.73   1.424     36
        562.74   1.409     93
        559.57   1.401    102
        555.66   1.391    110
        553.83   1.386    120
        551.15   1.380    101
        549.56   1.376     86
        546.51   1.368    147
        544.07   1.362    120
        540.65   1.353    162
        539.79   1.351    161
        536.13   1.342     62
        534.30   1.337    143
        533.81   1.336    139
        532.71   1.333    134
        528.69   1.323     65
        526.73   1.318    111
        526.25   1.317    109
        521.61   1.306     32
        519.90   1.301     53
        518.92   1.299     52
        517.94   1.296     57
        397.58   0.995    562
        390.14   0.977   1000
        382.57   0.958    527
        369.14   0.924    405
        361.94   0.906    737
        357.06   0.894     76
        354.74   0.888    294
    

in CDCl3

  • cb4505846_13cnmr_0

liquid film

  • cb4505846_ir1_0

2-OCTYNOIC ACID CIS-3-HEXEN-1-YL ESTER(68698-58-8)13CNMR Atlas of Related Products