88973-62-0

(2E,4E)-2,4-Hexadienoic acid propyl ester(88973-62-0)核磁圖(¹³CNMR)

產(chǎn)品名稱:(2E,4E)-2,4-Hexadienoic acid propyl ester

CAS:88973-62-0

分子式:

分子量:

Mass

MS-NW-5415          
propyl trans,trans-2,4-hexadienoate
C9H14O2             (Mass of molecular ion:    154)

   Source Temperature: 270 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.3
      26.0       1.7
      27.0      14.6
      28.0       2.9
      29.0       2.9
      31.0       1.8
      38.0       2.4
      39.0      23.8
      40.0       5.7
      41.0      44.0
      42.0       3.4
      43.0      13.8
      50.0       1.0
      51.0       2.7
      52.0       1.7
      53.0       1.8
      55.0       3.4
      56.0       1.1
      59.0       1.3
      63.0       1.8
      65.0      10.0
      66.0      12.0
      67.0      78.6
      68.0       7.8
      69.0       2.8
      71.0       1.0
      81.0       2.1
      83.0       1.9
      84.0       3.8
      93.0       1.7
      94.0       2.7
      95.0     100.0
      96.0       7.3
      97.0      77.7
      98.0       4.8
     100.0       1.6
     111.0       4.8
     112.0      52.5
     113.0       6.2
     133.0       1.2
     139.0       2.4
     154.0      15.2
     155.0       1.8

in CDCl3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₄ O₂	0.04 ml : 0.5 ml CDCl₃
propyl trans,trans-2,4-hexadienoate

    Assign.     Shift(ppm)

      A             7.239
      B             6.19
      C             6.13
      D             5.78
      E             4.094
      F             1.84
      G             1.69
      J             0.96
     
     J(A,D)=14.8HZ.

     Hz     ppm     Int.

    662.69   7.400     62
    662.25   7.395     63
    659.88   7.369     51
    657.56   7.343     71
    654.44   7.308     52
    652.50   7.286     94
    652.06   7.281     81
    647.38   7.229     76
    646.94   7.224     78
    644.88   7.201     67
    642.63   7.176     62
    641.81   7.167     64
    638.75   7.133     70
    637.13   7.115    112
    636.69   7.110    106
    570.94   6.375     51
    557.81   6.229    130
    555.94   6.208    375
    554.69   6.194    173
    550.75   6.150    170
    550.44   6.147    167
    549.69   6.138    321
    547.69   6.116    295
    543.88   6.073     39
    543.19   6.066     58
    542.69   6.060     41
    525.44   5.867    122
    525.00   5.862    178
    524.50   5.857    229
    509.63   5.691    198
    508.94   5.683    169
    373.56   4.172    420
    367.00   4.098    911
    360.25   4.023    486
    169.38   1.892     91
    168.56   1.883    451
    167.50   1.871    454
    165.44   1.848    298
    164.31   1.835    156
    163.44   1.825    502
    162.94   1.820    578
    161.31   1.802    173
    159.31   1.779     30
    156.25   1.745     84
    154.81   1.729    233
    154.06   1.721    213
    153.50   1.714    134
    151.81   1.696     31
    149.75   1.673     63
    148.19   1.655    184
    147.31   1.645    298
    146.25   1.633     88
    142.19   1.588     60
    141.50   1.580     66
    140.44   1.569    188
    139.69   1.560    111
    134.06   1.497     57
    133.00   1.486     56
     93.50   1.044    283
     92.75   1.036    543
     92.13   1.029    339
     90.81   1.014     71
     90.44   1.010     71
     89.06   0.995     54
     88.13   0.985     49
     87.56   0.978     52
     85.88   0.959   1000
     85.06   0.950    557
     83.63   0.934    103
     78.88   0.881    176
     78.06   0.872    321
     77.06   0.861    199

in CDCl3