90-44-8

蒽酮(90-44-8)核磁圖(¹³CNMR)

產(chǎn)品名稱:蒽酮

CAS:90-44-8

分子式:C14H10O

分子量: 194.23

InChI:InChI=1S/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8H,9H2

InChIKey: RJGDLRCDCYRQOQ-UHFFFAOYSA-N

Smiles:C1=C2C(CC3=C(C2=O)C=CC=C3)=CC=C1

Mass

MS-NW-0296          
anthrone
C14H10O             (Mass of molecular ion:    194)

   Source Temperature: 140 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      39.0       1.2
      50.0       1.1
      51.0       1.2
      62.0       1.2
      63.0       2.8
      69.5       2.4
      74.0       1.2
      75.0       1.2
      81.5       2.2
      82.0       5.8
      82.5       7.1
      83.0       2.5
      87.0       1.3
      89.0       1.7
      97.0       1.8
     115.0       2.1
     139.0       4.2
     163.0       7.0
     164.0       5.9
     165.0      53.5
     166.0      10.3
     193.0       8.9
     194.0     100.0
     195.0      15.2
     196.0       1.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₄ H₁₀ O	0.027 g : 0.5 ml CDCl₃
anthrone

    Assign.     Shift(ppm)

      A             8.352
      B             7.576
      C             7.45
      D             7.45
      E             4.324

     Hz     ppm     Int.

   3342.65   8.364    575
   3341.19   8.361    529
   3334.35   8.344    613
   3333.25   8.341    554
   3036.74   7.599    296
   3035.28   7.595    304
   3033.33   7.590     54
   3032.96   7.590     53
   3029.42   7.581    703
   3028.32   7.578    450
   3027.47   7.576    430
   3025.39   7.571     58
   3024.29   7.568     55
   3021.85   7.562    509
   3020.39   7.558    485
   2992.55   7.488     33
   2991.46   7.486     37
   2991.09   7.485     37
   2984.01   7.467    399
   2983.40   7.466    520
   2982.79   7.464    328
   2981.45   7.461    379
   2980.59   7.459    685
   2979.25   7.455    673
   2978.27   7.453    422
   2977.17   7.450    493
   2976.44   7.448    663
   2975.95   7.447    599
   2974.00   7.442    251
   2973.02   7.440    421
   2972.53   7.438    443
   2972.17   7.437    436
   2971.31   7.435    392
   2970.21   7.433    270
   2969.36   7.430    332
   2968.75   7.429    270
   2968.02   7.427    226
   1728.03   4.324   1000

in CDCl3