5063-03-6

2-乙?；?5-降冰片烯 (5063-03-6)核磁圖(¹³CNMR)

產(chǎn)品名稱:2-乙酰基-5-降冰片烯

CAS:5063-03-6

分子式:C9H12O

分子量: 136.19

InChI:InChI=1S/C9H12O/c1-6(10)9-5-7-2-3-8(9)4-7/h2-3,7-9H,4-5H2,1H3

InChIKey: NIMLCWCLVJRPFY-UHFFFAOYSA-N

Smiles:C(=O)(C1CC2CC1C=C2)C

Mass

MS-NW-8661          
5-acetyl-2-norbornene
C9H12O              (Mass of molecular ion:    136)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.8
      27.0       4.7
      38.0       1.3
      39.0       9.5
      40.0       3.8
      41.0       3.3
      43.0      20.4
      50.0       1.1
      51.0       2.7
      52.0       1.0
      53.0       1.7
      55.0       6.6
      58.0       7.7
      63.0       1.6
      65.0       7.8
      66.0     100.0
      67.0       6.3
      71.0      16.9
      77.0      10.1
      78.0       5.5
      79.0       2.7
      91.0       9.6
      92.0       2.1
      93.0      14.6
      94.0       1.5
     121.0       1.1
     136.0      10.8
     137.0       1.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₂ O	0.05 ml : 0.5 ml CDCl₃
5-acetyl-2-norbornene

    Assign.     Shift(ppm)

      A             6.145
      B             5.852
      C             3.241
      D             3.015
      E             2.894
      F             2.126
      G     *1      1.745
      J     *1      1.49
      K     *2      1.45
      L     *2      1.330
     
     ASSIGNED BY C-H COSY

     Hz     ppm     Int.

   2460.57   6.157     82
   2457.52   6.150     86
   2454.96   6.143     96
   2451.78   6.135     95
   2343.26   5.864     91
   2340.45   5.857     95
   2337.52   5.849     88
   2334.72   5.842     86
   1295.41   3.242     97
   1213.50   3.037     53
   1209.59   3.027     89
   1205.57   3.017     63
   1204.59   3.015     71
   1200.56   3.005     92
   1196.78   2.995     57
   1156.49   2.894     94
    849.85   2.127    957
    849.49   2.126   1000
    710.08   1.777     59
    706.30   1.768     59
    701.05   1.755     53
    698.49   1.748     79
    697.39   1.746     66
    694.70   1.739     72
    689.58   1.726     61
    685.79   1.716     63
    604.00   1.512     59
    601.44   1.505     74
    599.98   1.502     65
    597.29   1.495     71
    592.65   1.483     43
    592.16   1.482     43
    589.97   1.477     71
    589.48   1.475     69
    588.62   1.473     46
    588.01   1.472     50
    585.33   1.465    132
    583.37   1.460     62
    580.93   1.454     31
    579.10   1.450     56
    577.15   1.445     98
    574.71   1.439     83
    572.75   1.434     42
    535.52   1.340    124
    534.91   1.339    102
    534.18   1.337     80
    529.05   1.324     57
    527.47   1.320     97
    526.00   1.317     61

in CDCl3