1,7-辛二烯(3710-30-3)核磁圖(¹³CNMR)

產(chǎn)品名稱:1,7-辛二烯

CAS:3710-30-3

分子式:C8H14

分子量: 110.2

InChI:InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-8H2

InChIKey: XWJBRBSPAODJER-UHFFFAOYSA-N

Smiles:C=CCCCCC=C

Mass

MS-NW-2119          
1,7-octadiene
C8H14               (Mass of molecular ion:    110)

   Source Temperature: 250 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      18.0       1.4
      26.0       1.3
      27.0      16.2
      28.0       1.9
      29.0      11.8
      38.0       1.5
      39.0      29.5
      40.0       5.4
      41.0     100.0
      42.0       6.6
      43.0       3.1
      50.0       1.2
      51.0       2.6
      52.0       1.2
      53.0      12.9
      54.0      77.1
      55.0      22.4
      56.0       5.4
      65.0       2.2
      66.0       3.5
      67.0      71.1
      68.0      33.3
      69.0      14.2
      77.0       1.3
      79.0       3.1
      80.0       1.8
      81.0      31.1
      82.0      42.9
      83.0       2.9
      95.0       9.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₄	0.04 ml : 0.5 ml CDCl₃
1,7-octadiene

    Assign.     Shift(ppm)

      A             5.79
      B             4.98
      C             4.91
      D             2.05
      E             1.41

     Hz     ppm     Int.

    541.13   6.043    128
    534.63   5.970    256
    531.19   5.932    152
    528.13   5.897    137
    524.75   5.860    341
    524.06   5.852    257
    521.19   5.820     49
    518.25   5.787    228
    517.44   5.778    426
    514.00   5.740    246
    510.88   5.705    218
    507.56   5.668    503
    501.06   5.595    265
    457.75   5.112    204
    456.31   5.096    420
    455.38   5.085    474
    454.81   5.079    382
    453.94   5.069    760
    452.50   5.053    403
    450.25   5.028     57
    448.50   5.008    368
    447.31   4.995    683
    446.19   4.983    537
    445.00   4.969    387
    443.88   4.957    207
    442.44   4.941     53
    440.56   4.920    139
    438.69   4.899    414
    437.44   4.885    779
    436.75   4.877    769
    436.25   4.872    617
    435.38   4.862    495
    433.88   4.845    128
    196.50   2.195     60
    195.25   2.181    108
    194.06   2.167    150
    192.69   2.152    159
    191.25   2.136    172
    188.75   2.108    347
    187.50   2.094    469
    186.25   2.080    440
    182.00   2.033    423
    180.88   2.020    487
    176.63   1.973    207
    175.19   1.957    207
    174.31   1.947    185
    171.13   1.911     68
    169.69   1.895     54
    139.63   1.560     72
    138.50   1.547     54
    134.75   1.505    110
    132.25   1.477    456
    128.75   1.438    475
    127.81   1.428    446
    125.19   1.398   1000
    121.88   1.361    410
    121.19   1.354    438
    119.56   1.335    190
    118.00   1.318    282
    115.38   1.289     71
    111.19   1.242     53

in CDCl3