52222-87-4

6-苯甲酰-2-萘酚(52222-87-4)核磁图(¹HNMR)

产品名称:6-苯甲酰-2-萘酚

CAS:52222-87-4

分子式:C17H12O2

分子量: 248.28

InChI:InChI=1S/C17H12O2/c18-16-9-8-13-10-15(7-6-14(13)11-16)17(19)12-4-2-1-3-5-12/h1-11,18H

InChIKey: MJKZGSBXCWNUHV-UHFFFAOYSA-N

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

Mass

MS-NW-6271          
6'-hydroxy-2'-benzonaphthone
C17H12O2            (Mass of molecular ion:    248)

   Source Temperature: 180 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       1.1
      27.0       1.0
      39.0       3.0
      50.0       3.0
      51.0       9.8
      62.0       2.5
      63.0       5.8
      64.0       1.1
      65.0       3.3
      74.0       2.0
      75.0       2.6
      76.0       1.7
      77.0      27.9
      78.0       2.0
      86.0       1.3
      87.0       2.1
      88.0       2.9
      89.0       5.5
     105.0      20.2
     106.0       1.6
     110.0       6.5
     110.5       1.2
     113.0       3.3
     114.0       6.9
     115.0      19.2
     116.0       2.0
     142.0       4.0
     143.0      30.0
     144.0       3.5
     165.0       1.3
     171.0     100.0
     172.0      12.3
     173.0       1.2
     189.0       4.3
     190.0       1.5
     191.0       4.6
     202.0       1.0
     218.0       1.2
     219.0       2.1
     220.0       2.7
     231.0       2.2
     247.0       6.5
     248.0      83.6
     249.0      16.0
     250.0       1.9

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₇ H₁₂ O₂	0.039 g : 0.5 ml DMSO-d₆
6'-hydroxy-2'-benzonaphthone

    Assign.     Shift(ppm)

      A            10.3
      B             8.231
      C             7.974
      D             7.853
      E             7.82
      F             7.80
      G             7.695
      J             7.601
      K             7.277
      L             7.218
     
     ASSIGNED BY C-H COSY

     Hz     ppm     Int.

   4116.36  10.300   1000
   3289.64   8.232    741
   3191.53   7.986    539
   3182.68   7.964    570
   3144.84   7.869    294
   3136.14   7.848    827
   3128.66   7.829    711
   3127.14   7.825    698
   3122.71   7.814    851
   3118.13   7.803    504
   3115.84   7.797    984
   3114.47   7.793    789
   3084.11   7.718    176
   3076.63   7.699    465
   3070.53   7.684    257
   3069.31   7.680    346
   3044.28   7.618    664
   3036.50   7.598    933
   3029.17   7.580    381
   2909.39   7.280    597
   2907.26   7.275    663
   2899.17   7.255     30
   2890.17   7.232    433
   2887.73   7.226    351
   2881.32   7.210    409
   2878.88   7.204    345

in DMSO-d6