4940-39-0

4-苯并吡喃酮-2-羧酸(4940-39-0)質(zhì)譜(MS)

產(chǎn)品名稱:4-苯并吡喃酮-2-羧酸

CAS:4940-39-0

分子式:C10H6O4

分子量: 190.15

InChI:InChI=1S/C10H6O4/c11-7-5-9(10(12)13)14-8-4-2-1-3-6(7)8/h1-5H,(H,12,13)

InChIKey: RVMGXWBCQGAWBR-UHFFFAOYSA-N

Smiles:C1(C(O)=O)OC2=CC=CC=C2C(=O)C=1

Mass

MS-IW-0751          
4-oxo-4H-chromene-2-carboxylic acid
C10H6O4             (Mass of molecular ion:    190)

   Source Temperature: 160 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      17.0       2.9
      18.0      18.3
      28.0       1.4
      38.0       1.4
      39.0       2.6
      44.0       3.7
      45.0       1.1
      50.0       4.9
      51.0       1.8
      53.0       2.3
      62.0       2.0
      63.0       7.1
      64.0       5.8
      67.0       3.4
      69.0       4.8
      74.0       2.1
      75.0       2.3
      76.0       4.2
      77.0       1.8
      78.0       2.2
      89.0       9.0
      90.0       3.3
      92.0      16.9
      93.0       1.4
     106.0       1.1
     117.0       1.1
     118.0       2.8
     120.0      15.8
     121.0       1.6
     134.0       4.4
     145.0      11.3
     146.0       6.8
     162.0      34.3
     163.0       3.6
     190.0     100.0
     191.0      11.4
     192.0       1.4
     204.0       1.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₀ H₆ O₄	0.038 g : 0.5 ml DMSO-d₆
4-oxo-4H-chromene-2-carboxylic acid

    Assign.     Shift(ppm)

      A            14.
      B             8.063
      C             7.887
      D             7.737
      E             7.551
      F             6.931

     Hz     ppm     Int.

   3227.78   8.077    178
   3226.07   8.073    197
   3219.73   8.057    197
   3218.26   8.053    210
   3161.87   7.912    105
   3160.16   7.908    104
   3154.79   7.894    133
   3153.32   7.891    208
   3151.61   7.886    146
   3146.24   7.873    160
   3144.53   7.869    150
   3096.44   7.748    243
   3095.95   7.747    255
   3087.89   7.727    202
   3087.40   7.726    191
   3026.12   7.572    136
   3025.15   7.570    135
   3018.07   7.552    232
   3017.09   7.550    159
   3010.99   7.535    123
   3010.01   7.532    118
   2770.02   6.932   1000

in DMSO-d6