4-甲基-1，3-戊二烯(926-56-7)核磁圖(¹HNMR)

產(chǎn)品名稱:4-甲基-1，3-戊二烯

CAS:926-56-7

分子式:C6H10

分子量: 82.14

InChI:InChI=1S/C6H10/c1-4-5-6(2)3/h4-5H,1H2,2-3H3

InChIKey: CJSBUWDGPXGFGA-UHFFFAOYSA-N

Smiles:C=C/C=C(/C)\C

Mass

MS-NW-3322          
4-methyl-1,3-pentadiene
C6H10               (Mass of molecular ion:     82)

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

      15.0       1.0
      26.0       1.1
      27.0      10.6
      28.0       1.2
      29.0       3.5
      37.0       1.6
      38.0       3.6
      39.0      30.4
      40.0       7.9
      41.0      41.7
      42.0       7.7
      43.0       2.6
      50.0       3.1
      51.0       5.0
      52.0       2.6
      53.0      12.6
      54.0      14.0
      55.0       5.1
      56.0       2.3
      62.0       1.2
      63.0       2.2
      65.0      10.2
      66.0       3.6
      67.0     100.0
      68.0       5.8
      77.0       3.0
      79.0       7.6
      80.0       1.4
      81.0      12.9
      82.0      51.7
      83.0       3.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₀	0.04 ml : 0.5 ml CDCl₃
4-methyl-1,3-pentadiene

    Assign.     Shift(ppm)

      A             6.54
      B             5.85
      C             5.06
      D             4.95
      E             1.77

     Hz     ppm     Int.

    606.94   6.777     37
    596.50   6.661     62
    596.13   6.657     64
    590.19   6.590     49
    586.06   6.544     60
    579.38   6.470     79
    569.31   6.357     78
    531.13   5.931     35
    530.44   5.923     66
    529.75   5.916     88
    529.06   5.908    109
    528.38   5.900    121
    527.63   5.892    114
    527.00   5.885     93
    526.25   5.876     76
    525.56   5.869     42
    519.56   5.802     46
    518.94   5.795     57
    518.19   5.786     83
    517.56   5.779     78
    516.81   5.771     91
    516.19   5.764     62
    515.44   5.756     59
    514.75   5.748     30
    463.19   5.172     42
    462.56   5.165     60
    462.06   5.160     72
    461.38   5.152     66
    460.94   5.147     81
    460.31   5.140     94
    459.81   5.135     93
    459.19   5.128     65
    449.94   5.024     64
    449.19   5.016     89
    448.69   5.010     94
    447.94   5.002     75
    447.00   4.992     78
    446.44   4.985     99
    445.75   4.978     90
    445.31   4.973     67
    444.63   4.965     55
    444.19   4.960     61
    443.56   4.953     71
    443.13   4.948     76
    442.44   4.941     50
    439.88   4.912     55
    439.19   4.904     75
    438.56   4.897     80
    437.88   4.890     65
    436.94   4.879     59
    436.38   4.873     58
    435.69   4.865     38
    159.75   1.784    485
    158.38   1.769   1000
    157.94   1.764    947
    157.00   1.754    709

in CDCl3