環(huán)己酮二甲縮酮(933-40-4)核磁圖(¹³CNMR)

產(chǎn)品名稱:環(huán)己酮二甲縮酮

CAS:933-40-4

分子式:C8H16O2

分子量: 144.21

InChI:InChI=1S/C8H16O2/c1-9-8(10-2)6-4-3-5-7-8/h3-7H2,1-2H3

InChIKey: XPIJMQVLTXAGME-UHFFFAOYSA-N

Smiles:C1(OC)(OC)CCCCC1

Mass

MS-NW-4813          
1,1-dimethoxycyclohexane
C8H16O2             (Mass of molecular ion:    144)

   Source Temperature: 270 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      14.0       1.8
      15.0      17.0
      18.0       3.5
      26.0       2.7
      27.0      25.3
      28.0       7.0
      29.0      20.4
      30.0       3.3
      31.0      40.9
      32.0      27.0
      38.0       2.7
      39.0      35.7
      40.0       5.9
      41.0      56.8
      42.0       5.2
      43.0      78.6
      44.0       2.0
      45.0      26.3
      50.0       3.0
      51.0       5.5
      52.0       3.5
      53.0      14.0
      54.0      28.3
      55.0      20.4
      56.0       2.3
      57.0       4.9
      58.0       9.9
      59.0       2.5
      65.0       3.5
      66.0       2.6
      67.0      11.4
      68.0       2.9
      69.0      14.0
      70.0       1.2
      71.0       9.1
      72.0       1.7
      77.0       8.0
      78.0       1.7
      79.0      18.4
      80.0       5.2
      81.0      43.5
      82.0       4.3
      83.0      17.7
      84.0      87.3
      85.0       5.5
      88.0       9.8
      95.0       1.0
      96.0       1.4
      97.0      45.0
      98.0       3.5
     101.0     100.0
     102.0       7.4
     109.0       1.1
     111.0      49.1
     112.0      62.7
     113.0      51.9
     114.0       4.1
     115.0       3.4
     144.0       6.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₆ O₂	0.04 ml : 0.5 ml CDCl₃
1,1-dimethoxycyclohexane

    Assign.     Shift(ppm)

      A             3.177
      B             1.633
      C             1.501
      D             1.41

     Hz     ppm     Int.

   1269.78   3.178   1000
    658.33   1.648     43
    652.95   1.634     66
    646.48   1.618     59
    611.33   1.530     25
    605.83   1.516     41
    599.85   1.501     61
    594.12   1.487     40
    588.26   1.472     21
    564.33   1.413     28
    559.20   1.400     29

in CDCl3