(E,E)-2,4-己二烯醛(142-83-6)核磁圖(¹³CNMR)

產(chǎn)品名稱:(E,E)-2,4-己二烯醛

CAS:142-83-6

分子式:C6H8O

分子量: 96.13

InChI:InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4+

InChIKey: BATOPAZDIZEVQF-MQQKCMAXSA-N

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

Mass

MS-IW-9127          
trans,trans-2,4-hexadienal
C6H8O               (Mass of molecular ion:     96)

   Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.0
      26.0       2.5
      27.0      12.9
      28.0       4.0
      29.0       6.7
      31.0       3.7
      32.0       1.0
      37.0       2.7
      38.0       5.8
      39.0      38.7
      40.0      11.2
      41.0      40.9
      42.0       7.4
      43.0       4.4
      45.0       2.8
      50.0       3.8
      51.0       5.6
      52.0       2.7
      53.0      30.9
      54.0       3.4
      55.0       4.9
      61.0       1.6
      62.0       2.6
      63.0       3.7
      65.0      11.5
      66.0       5.1
      67.0      33.2
      68.0       7.6
      69.0       3.6
      70.0       1.0
      71.0       4.8
      77.0       3.8
      78.0       1.1
      79.0       2.0
      81.0     100.0
      82.0       5.8
      95.0      15.4
      96.0      44.5
      97.0       4.1
      99.0       2.3
     127.0       1.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₈ O	0.05 ml : 0.5 ml CDCl₃
trans,trans-2,4-hexadienal

    Assign.     Shift(ppm)

      A             9.533
      B             7.097
      C             6.33
      D             6.063
      E             1.912

     Hz     ppm     Int.

   3814.24   9.544    723
   3806.15   9.524    727
   2849.73   7.131    164
   2848.66   7.128     95
   2846.53   7.123     31
   2842.25   7.112     80
   2840.42   7.108    191
   2834.47   7.093    192
   2831.73   7.086     33
   2829.44   7.080     35
   2826.69   7.073     90
   2825.01   7.069    211
   2551.42   6.385     77
   2542.42   6.362     54
   2536.16   6.346    311
   2533.57   6.340    111
   2529.60   6.330    211
   2527.47   6.325    528
   2526.70   6.323    446
   2521.82   6.311    336
   2519.38   6.304     52
   2518.46   6.302     53
   2515.87   6.296    106
   2513.28   6.289     47
   2506.71   6.273     93
   2500.92   6.258     35
   2500.46   6.257     36
   2432.86   6.088    195
   2432.40   6.087    194
   2424.77   6.068    183
   2424.32   6.067    185
   2417.14   6.049    200
   2409.06   6.028    197
    766.91   1.919    967
    763.70   1.911    284
    761.57   1.906   1000

in CDCl3