286-20-4

氧化環(huán)己烯(286-20-4)核磁圖(¹³CNMR)

產(chǎn)品名稱:氧化環(huán)己烯

CAS:286-20-4

分子式:C6H10O

分子量: 98.14

InChI:InChI=1S/C6H10O/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2

InChIKey: ZWAJLVLEBYIOTI-UHFFFAOYSA-N

Smiles:C12C(O1)CCCC2

Mass

MS-NW-0833          
1,2-epoxycyclohexane
C6H10O              (Mass of molecular ion:     98)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       3.1
      18.0       1.7
      26.0       4.6
      27.0      33.2
      28.0       8.1
      29.0      17.9
      31.0       3.0
      37.0       1.9
      38.0       4.8
      39.0      49.1
      40.0      10.3
      41.0      87.6
      42.0      79.2
      43.0      19.4
      44.0      19.1
      50.0       3.5
      51.0       4.8
      52.0       2.2
      53.0      10.4
      54.0      58.4
      55.0      32.6
      56.0      16.7
      57.0      41.2
      58.0       1.9
      65.0       2.3
      67.0      10.1
      68.0      12.3
      69.0      26.0
      70.0      27.0
      71.0       3.7
      77.0       4.4
      78.0       1.8
      79.0      12.3
      80.0       8.5
      81.0       1.8
      82.0       1.1
      83.0     100.0
      84.0       5.7
      97.0      15.4
      98.0      16.1
      99.0       1.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₀ O	0.05 ml : 0.5 ml CDCl₃
1,2-epoxycyclohexane

    Assign.     Shift(ppm)

      A             3.109
      B     *1      1.937
      C     *1      1.817
      D     *2      1.419
      E     *2      1.234
     
     ASSIGNED BY C-H COSY.

     Hz     ppm     Int.

   1245.12   3.116    594
   1244.14   3.114    995
   1243.04   3.111    997
   1241.82   3.108   1000
   1240.72   3.105    961
   1239.75   3.103    561
   1231.93   3.083     32
   1230.83   3.080     33
    794.43   1.988     33
    789.92   1.977    170
    783.81   1.962    238
    782.96   1.960    255
    776.73   1.944    254
    775.88   1.942    283
    774.90   1.939    317
    772.09   1.932    140
    767.82   1.922    445
    767.21   1.920    427
    761.72   1.906    321
    743.16   1.860     37
    740.11   1.852    172
    739.26   1.850    184
    737.67   1.846    197
    736.94   1.844    224
    733.89   1.837    351
    732.79   1.834    354
    731.45   1.831    384
    730.59   1.829    330
    729.61   1.826    227
    727.29   1.820    262
    726.44   1.818    244
    724.37   1.813    281
    721.80   1.807    167
    718.75   1.799    205
    717.77   1.796    223
    716.31   1.793    220
    715.45   1.791    207
    714.48   1.788    145
    713.38   1.786    117
    712.40   1.783    149
    711.55   1.781    146
    710.21   1.778    128
    709.11   1.775    129
    706.30   1.768     37
    587.65   1.471     99
    585.69   1.466     79
    580.93   1.454    130
    578.86   1.449    197
    576.90   1.444    183
    576.05   1.442    197
    574.58   1.438    173
    572.51   1.433    350
    570.68   1.428    247
    569.46   1.425    195
    568.12   1.422    271
    566.04   1.417    416
    564.09   1.412    188
    561.77   1.406    262
    559.94   1.402    323
    558.72   1.399    344
    557.25   1.395    133
    556.27   1.392    110
    555.18   1.390    110
    554.32   1.388    139
    553.34   1.385    170
    552.49   1.383    166
    551.03   1.379    137
    548.10   1.372     45
    514.04   1.287     30
    510.99   1.279    128
    509.40   1.275    142
    508.67   1.273    171
    507.45   1.270    117
    506.84   1.269    111
    504.64   1.263    107
    502.93   1.259    335
    501.34   1.255    280
    500.24   1.252    244
    499.27   1.250    193
    498.17   1.247    191
    495.73   1.241    424
    493.29   1.235    266
    490.23   1.227    267
    489.26   1.225    303
    486.82   1.219    175
    486.08   1.217    186
    485.23   1.215    192
    484.25   1.212    171
    482.42   1.208    212
    480.96   1.204    157
    479.49   1.200    106
    478.76   1.198    103
    475.83   1.191     84
    474.73   1.188     63
    473.51   1.185    101

in CDCl3