5325-97-3

1,2,3,4,5,6,7,8-八氢菲(5325-97-3)核磁图(¹HNMR)

产品名称:1,2,3,4,5,6,7,8-八氢菲

CAS:5325-97-3

分子式:C14H18

分子量: 186.29

InChI:InChI=1S/C14H18/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h9-10H,1-8H2

InChIKey: YSZLFGZFQTTZIQ-UHFFFAOYSA-N

Smiles:C1C2=C(C3=C(C=C2)CCCC3)CCC1

Mass

MS-NW-0087          
1,2,3,4,5,6,7,8-octahydrophenanthrene
C14H18              (Mass of molecular ion:    186)

   Source Temperature: 220 °C
   Sample Temperature:  95 °C
   Reservoir, 75 eV

      18.0       1.3
      27.0       2.1
      28.0       2.5
      29.0       1.5
      39.0       4.2
      41.0       3.5
      51.0       3.3
      53.0       2.0
      55.0       1.9
      63.0       2.9
      64.0       1.5
      65.0       2.7
      67.0       2.2
      70.5       1.1
      71.0       1.2
      75.0       1.1
      76.0       2.8
      77.0       5.3
      78.0       2.3
      79.0       2.2
      81.0       1.7
      82.0       1.0
      89.0       2.6
      91.0       6.9
      95.0       1.0
      96.0       2.0
      97.0       2.4
     102.0       1.4
     103.0       1.5
     104.0       2.8
     105.0       2.4
     115.0      14.4
     116.0       3.5
     117.0       6.0
     118.0       1.0
     127.0       5.2
     128.0      20.1
     129.0      27.4
     130.0      14.8
     131.0       5.6
     139.0       1.5
     141.0      11.2
     142.0       6.7
     143.0      28.8
     144.0      14.7
     145.0      28.4
     146.0       3.3
     151.0       1.0
     152.0       3.1
     153.0       3.3
     154.0       1.9
     155.0       3.0
     156.0       2.1
     157.0      17.3
     158.0      65.1
     159.0       8.6
     165.0       3.5
     169.0       1.3
     171.0       4.0
     178.0       2.7
     179.0       4.4
     180.0       7.4
     181.0       1.2
     184.0       3.0
     185.0      10.5
     186.0     100.0
     187.0      15.2
     188.0       1.1

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₄ H₁₈	13.0 mg : 0.5 ml CDCl₃
1,2,3,4,5,6,7,8-octahydrophenanthrene

    Assign.     Shift(ppm)

      A             6.859
      B             2.737
      C             2.557
      D             1.817
      E             1.744

     Hz     ppm     Int.

   2741.21   6.860   1000
   1100.22   2.753    217
   1093.99   2.738    398
   1087.77   2.722    205
   1028.56   2.574    197
   1022.34   2.559    443
   1018.92   2.550     54
   1015.87   2.542    253
    739.26   1.850     69
    735.96   1.842     71
    733.28   1.835    144
    729.74   1.826    166
    728.15   1.822    209
    723.39   1.811    177
    721.92   1.807    206
    718.75   1.799     91
    717.90   1.797     82
    717.04   1.795     78
    715.33   1.790    100
    714.11   1.787     77
    712.28   1.783     35
    710.94   1.779     34
    710.21   1.778     40
    708.01   1.772     92
    706.42   1.768    117
    704.59   1.764    136
    703.74   1.761    115
    701.54   1.756    164
    700.20   1.753    235
    698.61   1.749    232
    696.17   1.742    137
    694.34   1.738    222
    692.26   1.733    183
    689.33   1.725    170
    686.28   1.718     63
    683.47   1.711     52
    682.62   1.709     46

¹H NMR	89.56 MHz
C₁₄ H₁₈	0.04 ml : 0.5 ml CDCl₃
1,2,3,4,5,6,7,8-octahydrophenanthrene

    Assign.     Shift(ppm)

      A             6.84
      B             2.73
      C             2.55
      D             1.82
      E             1.73

     Hz     ppm     Int.

    612.94   6.844   1000
    250.88   2.802    135
    250.50   2.798    137
    250.00   2.792    136
    249.06   2.781    124
    244.50   2.731    339
    241.69   2.699    215
    240.44   2.685    230
    240.13   2.682    232
    234.75   2.622    165
    234.44   2.618    164
    234.00   2.613    162
    232.88   2.601    173
    231.94   2.590    163
    228.69   2.554    333
    222.69   2.487    194
    218.00   2.435     30
    176.19   1.968     38
    174.56   1.950     64
    173.63   1.939     44
    171.69   1.918     72
    170.81   1.908     69
    168.69   1.884     99
    165.50   1.848    233
    163.69   1.828    244
    162.00   1.809    555
    159.13   1.777    540
    158.50   1.770    536
    155.50   1.737    460
    153.31   1.712    220
    151.63   1.694    185
    149.38   1.668     89
    147.19   1.644     42
    146.88   1.641     42
    146.56   1.637     44
    145.50   1.625     52
    145.13   1.621     51
    144.31   1.612     36
    144.00   1.608     36
    143.63   1.604     39

in CDCl3