反式-2-壬醛(18829-56-6)核磁圖(¹³CNMR)

產品名稱:反式-2-壬醛

CAS:18829-56-6

分子式:C9H16O

分子量: 140.22

InChI:InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3/b8-7+

InChIKey: BSAIUMLZVGUGKX-BQYQJAHWSA-N

Smiles:C(=O)/C=C/CCCCCC

Mass

MS-NW-8842          
trans-2-nonenal
C9H16O              (Mass of molecular ion:    140)

   Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      26.0       1.1
      27.0      28.6
      28.0       5.4
      29.0      44.8
      30.0       1.1
      39.0      29.0
      40.0       5.6
      41.0      84.5
      42.0      34.5
      43.0     100.0
      44.0       4.1
      51.0       2.0
      52.0       1.2
      53.0       9.9
      54.0      16.0
      55.0      89.2
      56.0      37.9
      57.0      56.6
      58.0       9.4
      65.0       2.2
      66.0       3.3
      67.0      23.5
      68.0      11.4
      69.0      51.7
      70.0      86.2
      71.0      12.1
      72.0      12.0
      73.0       1.2
      77.0       2.5
      78.0       1.0
      79.0       8.9
      80.0       4.9
      81.0      24.9
      82.0       6.8
      83.0      67.8
      84.0      35.5
      85.0       5.0
      91.0       1.5
      93.0      14.3
      94.0       6.1
      95.0       3.2
      96.0      28.9
      97.0      16.3
      98.0      14.1
      99.0       1.7
     107.0       5.2
     109.0       3.8
     111.0       8.2
     112.0       2.8
     122.0       3.4
     123.0       1.3
     141.0       2.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₆ O	0.04 ml : 0.5 ml CDCl₃
trans-2-nonenal

    Assign.     Shift(ppm)

      A             9.507
      B             6.869
      C             6.129
      D             2.343
      E             1.50
      F             1.31
      G             0.89

     Hz     ppm     Int.

   3803.82   9.518    585
   3795.94   9.499    686
   2760.69   6.908    109
   2753.73   6.891    215
   2746.95   6.874    116
   2744.93   6.869    119
   2738.16   6.852    242
   2731.38   6.835    122
   2462.31   6.162    102
   2460.84   6.158    191
   2459.38   6.154     99
   2454.43   6.142    101
   2452.97   6.138    195
   2451.32   6.134     98
   2446.74   6.123     92
   2445.27   6.119    174
   2443.81   6.115     90
   2438.86   6.103     86
   2437.40   6.099    170
   2435.75   6.095     84
    947.89   2.372    137
    946.42   2.369    135
    940.93   2.355    250
    939.46   2.351    273
    932.87   2.335    253
    931.58   2.331    211
    926.27   2.318    138
    924.62   2.314    137
    612.14   1.532    132
    604.82   1.514    207
    599.87   1.501     84
    597.49   1.496    172
    596.57   1.493    167
    589.43   1.475    104
    551.88   1.381     77
    545.47   1.365    152
    544.00   1.362    131
    543.27   1.360    132
    542.36   1.358    136
    540.71   1.353    143
    539.43   1.350    190
    535.95   1.342    231
    534.66   1.338    218
    533.38   1.335    208
    531.37   1.330    269
    529.53   1.325    314
    528.07   1.322    287
    525.50   1.315    438
    524.96   1.314    444
    524.04   1.312    464
    523.49   1.310    445
    521.66   1.306    645
    518.73   1.298    429
    516.53   1.293    407
    514.88   1.289    326
    513.60   1.286    288
    511.03   1.279    188
    510.12   1.277    200
    505.54   1.265     72
    365.42   0.915    109
    363.95   0.911    311
    362.85   0.908    213
    358.27   0.897    301
    357.17   0.894   1000
    350.03   0.876    337

in CDCl3