環(huán)十一酮(878-13-7)核磁圖(¹³CNMR)

產(chǎn)品名稱:環(huán)十一酮

CAS:878-13-7

分子式:C11H20O

分子量: 168.28

InChI:InChI=1S/C11H20O/c12-11-9-7-5-3-1-2-4-6-8-10-11/h1-10H2

InChIKey: UPOSSYJVWXLPTA-UHFFFAOYSA-N

Smiles:C1(=O)CCCCCCCCCC1

Mass

MS-NW-9737          
cycloundecanone
C11H20O             (Mass of molecular ion:    168)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0      12.4
      28.0       5.1
      29.0      17.8
      39.0      15.8
      40.0       4.0
      41.0      64.8
      42.0      29.6
      43.0      42.5
      44.0       1.4
      51.0       1.2
      53.0       6.8
      54.0      15.3
      55.0     100.0
      56.0      34.4
      57.0      16.0
      58.0      65.7
      59.0      16.6
      65.0       1.8
      66.0       2.9
      67.0      27.1
      68.0      29.5
      69.0      46.3
      70.0      30.7
      71.0      56.5
      72.0       6.3
      77.0       1.9
      78.0       1.9
      79.0      16.0
      80.0       7.3
      81.0      30.4
      82.0      24.8
      83.0      45.2
      84.0      37.6
      85.0      10.3
      86.0       3.5
      91.0       1.9
      93.0      13.2
      94.0       9.9
      95.0      13.6
      96.0       6.8
      97.0      52.1
      98.0      81.2
      99.0       7.9
     100.0       3.0
     107.0       7.2
     108.0      13.4
     109.0       5.1
     110.0      21.2
     111.0      92.1
     112.0      35.5
     113.0       5.0
     121.0       9.1
     122.0       2.1
     125.0      72.3
     126.0       8.7
     127.0       2.4
     135.0       4.5
     139.0       5.9
     140.0       1.1
     150.0       1.5
     153.0       2.0
     168.0      35.6
     169.0       9.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₂₀ O	0.05 ml : 0.5 ml CDCl₃
cycloundecanone

    Assign.     Shift(ppm)

      A             2.497
      B             1.762
      C             1.429
      D             1.34
      E             1.28

     Hz     ppm     Int.

   1004.39   2.514    877
   1000.98   2.505    488
    998.54   2.499    704
    995.73   2.492    469
    992.43   2.484   1000
    716.67   1.794    241
    710.69   1.779    468
    708.25   1.773    426
    704.35   1.763    745
    700.81   1.754    447
    698.49   1.748    504
    694.21   1.738    188
    692.26   1.733    279
    585.33   1.465    166
    578.98   1.449    455
    571.90   1.432    674
    566.04   1.417    592
    560.06   1.402    280
    541.75   1.356    461
    534.91   1.339    543
    530.52   1.328    431
    529.17   1.325    420
    522.95   1.309    350
    516.60   1.293    669
    513.92   1.286    695
    511.35   1.280    802

in CDCl3