14436-32-9

9-癸烯酸(14436-32-9)核磁圖(¹³CNMR)

產(chǎn)品名稱:9-癸烯酸

CAS:14436-32-9

分子式:C10H18O2

分子量: 170.25

InChI:InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2H,1,3-9H2,(H,11,12)

InChIKey: KHAVLLBUVKBTBG-UHFFFAOYSA-N

Smiles:C(O)(=O)CCCCCCCC=C

Mass

MS-NW-9764          
9-decenoic acid
C10H18O2            (Mass of molecular ion:    170)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       1.2
      27.0      10.6
      28.0       2.7
      29.0      14.1
      31.0       1.5
      39.0      18.0
      40.0       2.9
      41.0      63.3
      42.0      13.0
      43.0      22.2
      44.0       1.0
      45.0      12.1
      51.0       1.3
      53.0       7.6
      54.0      16.8
      55.0     100.0
      56.0      23.9
      57.0       8.2
      58.0       3.2
      59.0       6.0
      60.0      37.2
      61.0       3.6
      65.0       1.7
      66.0       1.8
      67.0      23.9
      68.0      63.2
      69.0      96.7
      70.0      17.9
      71.0       6.9
      72.0       1.0
      73.0      36.5
      74.0       3.9
      77.0       1.3
      78.0       1.1
      79.0       6.0
      80.0       4.0
      81.0      22.6
      82.0      37.0
      83.0      38.5
      84.0      39.2
      85.0       5.6
      86.0       1.7
      87.0      12.0
      88.0       1.9
      91.0       1.3
      93.0       3.2
      94.0       3.5
      95.0      12.1
      96.0      23.3
      97.0      15.4
      98.0      10.7
      99.0       5.5
     100.0      10.1
     101.0       8.2
     102.0       1.5
     105.0       1.1
     108.0      11.8
     109.0       8.7
     110.0      41.4
     111.0      13.2
     112.0       1.2
     113.0       3.4
     114.0       9.8
     115.0       2.5
     119.0       1.8
     123.0      16.2
     124.0       6.8
     127.0       3.5
     128.0       1.6
     129.0       1.3
     134.0       3.3
     135.0       1.6
     137.0       2.2
     141.0       1.4
     152.0      11.5
     153.0       2.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₈ O₂	0.05 ml : 0.5 ml CDCl₃
9-decenoic acid

    Assign.     Shift(ppm)

      A            10.5
      B             5.800
      C             4.97
      D             4.94
      E             2.338
      F             2.03
      G             1.62
      J             1.32

     Hz     ppm     Int.

    942.77  10.527     84
    540.89   6.040     37
    534.38   5.967     74
    530.93   5.929     43
    527.86   5.894     44
    524.49   5.857     96
    523.83   5.849     65
    517.97   5.784     68
    517.16   5.775    117
    513.72   5.737     68
    510.64   5.702     65
    507.28   5.665    136
    500.83   5.593     72
    457.18   5.105     67
    455.71   5.089    128
    454.76   5.078    136
    454.25   5.073    110
    453.37   5.063    215
    451.90   5.046    113
    450.44   5.030     30
    447.95   5.002    114
    446.78   4.989    201
    445.61   4.976    152
    444.43   4.963    116
    443.33   4.951     65
    439.97   4.913     51
    438.13   4.893    128
    436.89   4.879    228
    436.16   4.871    226
    434.77   4.855    143
    433.37   4.839     42
    217.60   2.430    118
    217.09   2.424    122
    210.35   2.349    309
    206.40   2.305     73
    202.95   2.267    236
    198.27   2.214     31
    196.36   2.193     30
    196.00   2.189     30
    195.41   2.182     32
    194.68   2.174     40
    185.60   2.073    142
    179.52   2.005    159
    175.34   1.958     76
    174.98   1.954     74
    174.54   1.949     75
    173.88   1.942     74
    173.51   1.938     74
    153.15   1.711     90
    152.49   1.703     91
    151.98   1.697     91
    151.46   1.692     90
    150.73   1.684     90
    145.97   1.630    143
    145.24   1.622    148
    140.84   1.573    119
    140.33   1.567    122
    139.38   1.557    119
    138.28   1.544    118
    137.92   1.540    118
    137.55   1.536    117
    118.65   1.325   1000

in CDCl3