784-50-9

9-芴酮-2-羧酸(784-50-9)紅外圖譜(IR1)

產(chǎn)品名稱:9-芴酮-2-羧酸

CAS:784-50-9

分子式:C14H8O3

分子量: 224.21

InChI:InChI=1S/C14H8O3/c15-13-11-4-2-1-3-9(11)10-6-5-8(14(16)17)7-12(10)13/h1-7H,(H,16,17)

InChIKey: BJCTXUUKONLPPK-UHFFFAOYSA-N

Smiles:C1(=O)C2=C(C=CC=C2)C2=C1C=C(C(O)=O)C=C2

Mass

MS-NW-6627          
9-oxo-2-fluorenecarboxylic acid
C14H8O3             (Mass of molecular ion:    224)

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

      18.0       1.1
      38.0       1.0
      39.0       2.2
      45.0       2.4
      50.0       3.8
      51.0       4.4
      61.0       1.8
      62.0       3.9
      63.0       3.8
      73.0       1.0
      74.0       7.7
      75.0      11.7
      75.5       6.4
      76.0       4.1
      77.0       3.2
      84.0       3.2
      85.0       1.2
      86.0       3.0
      87.0       3.0
      89.0       1.3
      98.0       6.3
      99.0       4.1
     100.0       1.7
     101.0       2.3
     110.0       1.4
     111.0       1.7
     112.0       1.0
     113.0       1.1
     122.0       1.5
     123.0       1.2
     125.0       4.1
     126.0       1.6
     139.0       6.0
     140.0       1.4
     149.0       2.3
     150.0      23.3
     151.0      49.8
     152.0       8.7
     178.0       1.4
     179.0      20.9
     180.0       4.6
     196.0       4.2
     207.0      51.2
     208.0       8.0
     222.0       3.3
     223.0       1.0
     224.0     100.0
     225.0      15.9
     226.0       1.9

400 MHz in DMSO-d6

90 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₄ H₈ O₃	saturated in DMSO-d₆
9-oxo-2-fluorenecarboxylic acid

    Assign.     Shift(ppm)

      A             8.174
      B             8.012
      C             7.906
      D             7.88
      E     *1      7.67
      F             7.661
      G     *1      7.465
     
     J(A,B)=1.5HZ
     J(A,C)=7.8HZ
     J(B,C)=0.6HZ

     Hz     ppm     Int.

   3271.94   8.188    423
   3270.42   8.184    423
   3264.16   8.168    488
   3262.63   8.164    510
   3202.82   8.015    694
   3201.75   8.012    677
   3163.76   7.917    593
   3163.30   7.916    549
   3160.55   7.909     40
   3155.98   7.897    565
   3155.36   7.896    552
   3154.60   7.894    392
   3153.69   7.892    463
   3152.16   7.888    159
   3150.48   7.884     54
   3149.72   7.882     55
   3146.67   7.874    423
   3145.45   7.871    385
   3073.43   7.691    214
   3072.36   7.688    262
   3065.64   7.671    953
   3061.98   7.662     72
   3059.39   7.656    409
   3058.01   7.652   1000
   2990.88   7.484    288
   2989.96   7.482    292
   2986.91   7.474     33
   2983.40   7.466    500
   2978.67   7.454     33
   2978.06   7.452     31
   2975.92   7.447    215
   2975.01   7.445    207

¹H NMR	89.56 MHz
C₁₄ H₈ O₃	0.048 g : 0.5 ml DMSO-d₆
9-oxo-2-fluorenecarboxylic acid

    Assign.     Shift(ppm)

      A            13.2
      B             8.152
      C             7.999
      D             7.86
      E          7.93 to 7.33

     Hz     ppm     Int.

    735.80   8.216    401
    734.27   8.199    477
    728.11   8.130    638
    726.49   8.112    846
    717.43   8.011    756
    716.75   8.004    997
    715.89   7.994    884
    715.21   7.986    638
    712.48   7.956     54
    708.29   7.909   1000
    707.60   7.901    965
    704.02   7.861     91
    702.73   7.847    157
    700.60   7.823    787
    700.00   7.816    858
    698.80   7.803    655
    693.25   7.741    266
    691.63   7.723    282
    689.75   7.702    186
    689.06   7.694    256
    688.21   7.685    284
    687.27   7.674    291
    686.58   7.667    286
    684.88   7.648    585
    682.31   7.619    782
    680.60   7.600    686
    678.64   7.578    478
    676.84   7.558    136
    675.65   7.545     59
    673.51   7.521    499
    672.06   7.505    471
    670.43   7.486     93
    668.55   7.465    106
    666.85   7.446    234
    665.39   7.430    272
    659.24   7.361    118
    658.04   7.348    117

DMSO-d6