4900-30-5

1,8-壬二烯(4900-30-5)核磁图(¹HNMR)

产品名称:1,8-壬二烯

CAS:4900-30-5

分子式:C9H16

分子量: 124.22

InChI:InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3-4H,1-2,5-9H2

InChIKey: VJHGSLHHMIELQD-UHFFFAOYSA-N

Smiles:C=CCCCCCC=C

Mass

MS-NW-4051          
1,8-nonadiene
C9H16               (Mass of molecular ion:    124)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.3
      26.0       1.7
      27.0      21.7
      28.0       3.0
      29.0      23.1
      38.0       1.6
      39.0      35.8
      40.0       5.2
      41.0     100.0
      42.0       9.1
      43.0       6.6
      50.0       1.3
      51.0       2.6
      52.0       1.5
      53.0      13.1
      54.0      87.5
      55.0      95.0
      56.0       6.2
      57.0       2.0
      65.0       2.2
      66.0       3.7
      67.0      73.1
      68.0      29.5
      69.0       8.0
      70.0       2.9
      77.0       1.2
      79.0       3.2
      80.0       1.4
      81.0      34.0
      82.0      18.6
      83.0       7.5
      95.0      15.0
      96.0      24.4
      97.0       2.1
     109.0       1.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₆	0.04 ml : 0.5 ml CDCl₃
1,8-nonadiene

    Assign.     Shift(ppm)

      A             5.79
      B             4.98
      C             4.93
      D             2.04
      E          1.64 to 1.10

     Hz     ppm     Int.

    541.25   6.044    130
    534.75   5.971    266
    531.25   5.932    150
    528.25   5.899    142
    524.81   5.860    324
    524.13   5.853    243
    522.63   5.836     36
    520.81   5.816     39
    518.44   5.789    188
    517.56   5.779    440
    514.13   5.741    250
    511.00   5.706    232
    507.63   5.669    513
    501.19   5.597    281
    457.38   5.107    209
    455.88   5.091    427
    455.00   5.081    444
    454.44   5.075    310
    453.56   5.065    815
    452.13   5.049    409
    448.06   5.003    352
    446.88   4.990    710
    445.69   4.977    539
    444.50   4.964    394
    443.38   4.951    210
    441.19   4.927     32
    440.13   4.915    130
    438.69   4.899    251
    438.19   4.893    350
    437.75   4.888    364
    436.94   4.879    737
    436.38   4.873    730
    435.69   4.865    538
    434.94   4.857    447
    433.38   4.839    125
    194.31   2.170     82
    191.56   2.139    123
    186.19   2.079    363
    179.75   2.008    411
    174.63   1.950    160
    173.38   1.936    167
    169.13   1.889     30
    138.75   1.550     46
    137.00   1.530     38
    135.06   1.509    136
    131.69   1.471    193
    131.19   1.465    195
    127.50   1.424    275
    126.06   1.408    268
    122.00   1.363   1000
    119.13   1.331    646
    117.69   1.315    658
    111.94   1.250     83
    108.31   1.210     31

in CDCl3