5299-57-0

10-十一碳烯酸乙烯酯(5299-57-0)质谱(MS)

产品名称:10-十一碳烯酸乙烯酯

CAS:5299-57-0

分子式:C13H22O2

分子量: 210.31

InChI:InChI=1S/C13H22O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3-4H,1-2,5-12H2

InChIKey: HUGGPHJJSYXCDJ-UHFFFAOYSA-N

Smiles:C(OC=C)(=O)CCCCCCCCC=C

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-2625          
vinyl 10-undecenoate
C13H22O2            (Mass of molecular ion:    210)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       1.0
      27.0      10.5
      28.0       2.4
      29.0      11.9
      39.0      11.3
      40.0       2.1
      41.0      52.4
      42.0      12.3
      43.0      31.2
      44.0       2.3
      53.0       5.5
      54.0       7.8
      55.0     100.0
      56.0       8.6
      57.0      13.7
      58.0       2.4
      67.0      51.8
      68.0       6.7
      69.0      56.2
      70.0       4.2
      71.0       7.9
      79.0       6.6
      80.0       1.5
      81.0      37.7
      82.0       4.5
      83.0      53.7
      84.0       5.9
      85.0      14.6
      86.0       6.3
      93.0      12.1
      94.0       1.6
      95.0       9.4
      96.0       1.9
      97.0      20.9
      98.0       6.4
      99.0       6.0
     107.0      13.5
     108.0       1.6
     109.0       3.6
     111.0       4.2
     112.0       1.4
     121.0       4.1
     123.0       2.3
     125.0       4.7
     149.0      62.3
     150.0       8.0
     166.0       1.6
     167.0      28.0
     168.0       3.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₂₂ O₂	0.05 ml : 0.5 ml CDCl₃
vinyl 10-undecenoate

    Assign.     Shift(ppm)

      A             7.290
      B             5.796
      C             4.986
      D             4.923
      E             4.862
      F             4.544
      G             2.374
      J             2.032
      K             1.649
      L             1.37
      M             1.30

     Hz     ppm     Int.

   2923.83   7.316    358
   2917.48   7.301    380
   2909.79   7.281    391
   2903.44   7.265    388
   2337.40   5.849     67
   2330.69   5.832    138
   2327.27   5.824     75
   2324.10   5.816     75
   2320.43   5.807    214
   2313.72   5.790    222
   2310.06   5.781     85
   2306.88   5.773     84
   2303.47   5.764    164
   2296.75   5.747     83
   2003.30   5.013    103
   2001.71   5.009    241
   1999.63   5.004    248
   1998.29   5.001    123
   1986.21   4.970     94
   1984.62   4.966    216
   1982.79   4.962    224
   1982.42   4.961    224
   1980.96   4.957    112
   1974.49   4.941    125
   1973.27   4.938    238
   1972.29   4.936    226
   1971.19   4.933    216
   1970.21   4.930    120
   1964.36   4.916    122
   1963.13   4.913    229
   1962.16   4.910    218
   1961.06   4.907    204
   1960.08   4.905    113
   1950.68   4.881    398
   1949.10   4.878    431
   1936.65   4.846    395
   1935.06   4.842    417
   1819.95   4.554    407
   1818.36   4.550    414
   1813.60   4.538    416
   1812.13   4.535    414
    956.54   2.394    506
    949.10   2.375    886
    941.53   2.356    599
    823.85   2.062    120
    822.75   2.059     97
    817.02   2.045    333
    809.33   2.026    351
    803.96   2.012    112
    802.61   2.009    166
    801.39   2.006    111
    675.17   1.690     53
    667.72   1.671    184
    660.40   1.653    283
    653.08   1.635    230
    645.75   1.616     83
    562.99   1.409     44
    562.13   1.407     44
    561.89   1.406     44
    555.54   1.391    145
    548.34   1.373    227
    541.14   1.355    261
    535.40   1.340    243
    533.94   1.337    250
    520.26   1.302   1000
    517.82   1.296    924

in CDCl3