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网站主页CAS数据库列表 1139-30-6更多图谱石竹素(1139-30-6)红外图谱(IR2)

石竹素

产品名称 石竹素

CAS号1139-30-6

分子式C15H24O

分子量220.35


  • Mass

    MS2018-05530CM      
    beta-caryophyllene oxide
    C15H24O             (Mass of molecular ion:    220)
    

       Source Temperature: 240 °C
       Sample Temperature:  20 °C
       Direct, 70 eV
    

          17.0       2.3
          18.0      10.0
          27.0       9.8
          28.0       2.4
          29.0      10.6
          39.0      21.6
          40.0       4.8
          41.0      70.7
          42.0       3.7
          43.0      61.4
          44.0       2.9
          45.0       1.9
          51.0       4.9
          52.0       3.8
          53.0      22.9
          54.0       4.9
          55.0      40.0
          56.0       5.3
          57.0       5.5
          58.0       2.7
          59.0       2.0
          63.0       1.5
          65.0      14.0
          66.0       6.5
          67.0      46.4
          68.0      13.8
          69.0      59.7
          70.0       5.7
          71.0      21.5
          72.0       2.0
          77.0      40.7
          78.0      13.5
          79.0     100.0
          80.0      19.9
          81.0      49.4
          82.0      25.9
          83.0      23.6
          84.0       5.6
          85.0       8.5
          91.0      72.4
          92.0      16.6
          93.0      97.8
          94.0      30.6
          95.0      62.9
          96.0      34.3
          97.0      10.5
          98.0       1.8
          99.0       1.3
         103.0       3.6
         104.0       3.2
         105.0      44.2
         106.0      47.8
         107.0      58.3
         108.0      24.0
         109.0      53.3
         110.0      34.8
         111.0      12.4
         112.0       1.6
         115.0       2.7
         116.0       1.4
         117.0       7.6
         118.0       4.7
         119.0      27.5
         120.0      26.2
         121.0      46.8
         122.0      14.9
         123.0      28.9
         124.0       6.6
         125.0       5.5
         126.0       2.1
         127.0       5.1
         128.0       3.0
         129.0       1.5
         131.0      16.3
         132.0       4.8
         133.0      19.3
         134.0      14.3
         135.0      21.5
         136.0      16.7
         137.0      11.5
         138.0      23.5
         139.0       4.3
         140.0       2.0
         145.0       8.6
         146.0       6.4
         147.0      15.6
         148.0       6.3
         149.0      19.4
         150.0       4.8
         151.0       8.6
         152.0       2.8
         153.0       1.1
         159.0      10.0
         160.0       3.3
         161.0      17.5
         162.0       6.3
         163.0      10.0
         164.0       9.2
         165.0       3.8
         173.0       2.6
         174.0       2.1
         175.0       2.1
         176.0       7.4
         177.0      14.1
         178.0       2.8
         187.0       9.1
         188.0       1.5
         189.0       1.8
         191.0       3.1
         192.0       3.0
         202.0       2.0
         205.0       7.1
         206.0       1.1
         220.0       3.9
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C15 H24 O 0.039 g : 0.5 ml CDCl3
    beta-caryophyllene oxide
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 4.976 B *1 4.859 C 2.878 D 2.618 E 2.339 F 2.249 G 2.11 J 2.10 K 1.764 L 1.69 M 1.65 N 1.62 O 1.426 P 1.327 Q 1.202 R *2 1.007 S *2 0.986 T 0.97 ASSIGNED BY H-H AND C-H COSY. J(C,F)=4.3HZ J(C,P)=10.6HZ J(D,K)=10.1HZ J(E,F)=4.3HZ J(E,G)=-12.6HZ J(E,P)=8.1HZ J(F,G)=12.6HZ J(F,P)=-12.3HZ J(G,P)=4.3HZ J(J,O)=4.2HZ J(J,T)=-13.2HZ J(K,M)=1.1HZ J(K,O)=10.5HZ J(M,T)=5.3HZ J(M,O)=-14.7HZ J(O,T)=13.4HZ

         Hz     ppm     Int.
    

       1989.38   4.978    145
       1988.16   4.975    152
       1942.87   4.862    168
       1942.02   4.860    146
       1941.16   4.858    156
       1157.71   2.897     75
       1153.44   2.887     81
       1147.09   2.871     81
       1142.82   2.860     82
       1050.90   2.630     53
       1042.36   2.609     55
       1032.59   2.584     33
        944.58   2.364     32
        936.28   2.343     59
        931.76   2.332     43
        928.10   2.323     33
        923.71   2.312     46
        905.88   2.267     30
        901.73   2.257     51
        897.46   2.246     45
        893.31   2.236     34
        889.77   2.227     40
        889.04   2.225     39
        857.79   2.147     45
        853.15   2.135     47
        849.85   2.127     39
        845.34   2.116     89
        842.16   2.108     68
        841.06   2.105     60
        838.62   2.099     47
        838.01   2.097     48
        832.76   2.084     61
        829.35   2.076     63
        825.93   2.067     38
        715.33   1.790     46
        705.20   1.765     86
        695.56   1.741     51
        684.45   1.713     44
        676.15   1.692     52
        675.66   1.691     52
        673.83   1.687    100
        670.41   1.678     34
        669.31   1.675     34
        665.53   1.666    122
        662.23   1.658     37
        661.13   1.655     35
        657.10   1.645     98
        654.54   1.638     48
        652.34   1.633     46
        650.88   1.629     58
        649.54   1.626     49
        646.48   1.618    150
        635.99   1.592     42
        577.88   1.446     37
        576.78   1.444     42
        573.85   1.436     33
        563.35   1.410     45
        547.61   1.371     31
        543.33   1.360     35
        539.55   1.351     33
        536.99   1.344     33
        535.16   1.340     55
        532.71   1.333     35
        530.64   1.328     33
        528.93   1.324     33
        527.22   1.320     33
        524.54   1.313     55
        522.58   1.308     31
        520.02   1.302     30
        480.71   1.203    738
        480.22   1.202    735
        402.71   1.008    802
        394.04   0.986   1000
        389.16   0.974     94
        384.03   0.961     69
        376.22   0.942     34
    

in CDCl3



KBr disc



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