7429-44-9

2-甲氧基环己酮(7429-44-9)核磁图(¹³CNMR)

产品名称:2-甲氧基环己酮

CAS:7429-44-9

分子式:C7H12O2

分子量: 128.17

InChI:InChI=1S/C7H12O2/c1-9-7-5-3-2-4-6(7)8/h7H,2-5H2,1H3

InChIKey: JYJURPHZXCLFDX-UHFFFAOYSA-N

Smiles:C1(=O)CCCCC1OC

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-1310          
2-methoxycyclohexanone
C7H12O2             (Mass of molecular ion:    128)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       1.6
      27.0       6.0
      28.0       3.7
      29.0       7.0
      31.0       1.2
      39.0       6.7
      40.0       1.5
      41.0      26.1
      42.0       5.4
      43.0       4.7
      45.0       6.4
      53.0       1.9
      55.0       4.8
      57.0       5.0
      58.0      11.6
      67.0       4.1
      68.0       3.7
      69.0       3.1
      70.0       1.0
      71.0     100.0
      72.0       7.9
      84.0      42.5
      85.0       4.7
      98.0      22.3
      99.0       2.2
     100.0       2.0
     128.0      11.6
     129.0       1.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₁₂ O₂	0.05 ml : 0.5 ml CDCl₃
2-methoxycyclohexanone

    Assign.     Shift(ppm)

      A             3.741
      B             3.420
      C             2.500
      D             2.32
      E             2.24
      F             1.96
      G          1.71 to 1.68
     
     ASSIGNED BY C-H COSY.

     Hz     ppm     Int.

   1504.88   3.766     37
   1503.66   3.763     41
   1497.92   3.749     64
   1494.87   3.741     53
   1493.53   3.738     51
   1489.14   3.727     62
   1488.04   3.724     62
   1366.82   3.421   1000
    940.92   2.355     33
    936.77   2.344     41
    935.42   2.341     39
    930.66   2.329     47
    929.32   2.326     41
    927.61   2.322     30
    925.29   2.316     47
    924.44   2.314     41
    923.71   2.312     40
    922.12   2.308     33
    917.36   2.296     30
    910.64   2.279     32
    903.08   2.260     42
    901.00   2.255     36
    898.80   2.249     31
    897.83   2.247     36
    896.48   2.244     48
    895.51   2.241     41
    893.68   2.237     56
    891.48   2.231     46
    888.31   2.223     36

in CDCl3