30860-22-1

3-氯-2-降冰片酮(30860-22-1)Raman光谱

产品名称:3-氯-2-降冰片酮

CAS:30860-22-1

分子式:C7H9ClO

分子量: 144.6

InChI:InChI=1/C7H9ClO/c8-6-4-1-2-5(3-4)7(6)9/h4-6H,1-3H2/t4-,5+,6-/s3

InChIKey: PQRKEKMZLKKQOP-BAGWKGPINA-N

Smiles:[C@]12([H])C[C@]([H])(CC1)[C@H](Cl)C2=O |&1:0,3,7,r|

Mass

MS-NW-6434          
endo-3-chloro-2-norbornanone
C7H9ClO             (Mass of molecular ion:    144)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       1.1
      26.0       3.3
      27.0      16.0
      28.0       1.3
      29.0       1.4
      36.0       1.6
      37.0       1.2
      38.0       3.2
      39.0      22.0
      40.0       4.4
      41.0      26.2
      42.0       1.4
      49.0       1.9
      50.0       3.4
      51.0       6.5
      52.0       3.6
      53.0      14.6
      54.0      15.7
      55.0       5.6
      63.0       1.1
      65.0       4.3
      66.0       9.8
      67.0     100.0
      68.0       7.3
      69.0       1.0
      75.0      45.9
      76.0       2.4
      77.0      15.4
      78.0       1.3
      79.0      13.3
      80.0      25.0
      81.0      81.9
      82.0       5.7
      88.0       7.4
      90.0       2.3
     101.0       1.0
     109.0       7.0
     115.0       1.7
     144.0      31.5
     145.0       2.5
     146.0      10.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₉ Cl O	0.05 ml : 0.5 ml CDCl₃
endo-3-chloro-2-norbornanone

    Assign.     Shift(ppm)

      A             3.693
      B             2.72
      C             2.242
      D     *1      1.961
      E     *2      1.864
      F             1.622
      G     *2      1.556
      J     *1      1.509
     
     ASSIGNED BY C-H COSY

     Hz     ppm     Int.

   1477.54   3.698    941
   1474.49   3.690   1000
   1092.16   2.733    455
   1089.11   2.726    441
   1087.16   2.721    678
   1085.82   2.717    780
   1084.59   2.714    594
   1082.89   2.710    411
   1081.30   2.706    546
   1080.20   2.703    538
    903.56   2.261    264
    901.86   2.257    388
    900.27   2.253    294
    898.32   2.248    137
    892.70   2.234    292
    891.11   2.230    429
    889.40   2.226    326
    887.57   2.221    146
    800.66   2.004    161
    796.14   1.993    145
    791.87   1.982    355
    786.99   1.970    350
    783.33   1.961    225
    779.54   1.951    231
    776.25   1.943    250
    774.78   1.939    259
    771.61   1.931    222
    760.25   1.903    168
    756.47   1.893    277
    752.08   1.882    174
    748.41   1.873    199
    744.02   1.862    407
    739.87   1.852    279
    735.47   1.841    126
    731.08   1.830    149
    656.62   1.643    242
    655.40   1.640    309
    654.79   1.639    325
    653.56   1.636    476
    652.34   1.633    347
    651.86   1.632    333
    650.51   1.628    284
    645.87   1.617    240
    644.53   1.613    300
    643.92   1.612    310
    642.82   1.609    453
    641.60   1.606    333
    640.99   1.604    320
    639.77   1.601    270
    635.25   1.590    169
    633.06   1.585    184
    629.76   1.576    125
    626.46   1.568    224
    624.15   1.562    260
    623.05   1.559    358
    620.85   1.554    332
    613.65   1.536    766
    611.45   1.530    866
    604.25   1.512    263
    602.05   1.507    294
    600.34   1.503    260
    598.02   1.497    214
    591.67   1.481    142
    589.36   1.475    132

in CDCl3