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77-09-8

酚酞(77-09-8)红外图谱(IR2)

产品名称:酚酞

CAS:77-09-8

分子式:C20H14O4

分子量: 318.32

InChI:InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H

InChIKey: KJFMBFZCATUALV-UHFFFAOYSA-N

Smiles:C1(=O)C2=C(C=CC=C2)C(C2=CC=C(O)C=C2)(C2=CC=C(O)C=C2)O1

  • 图谱
    Mass

    MS-NW-0269          
    3,3-bis(p-hydroxyphenyl)phthalide
    C20H14O4            (Mass of molecular ion:    318)
    

       Source Temperature: 200 °C
       Sample Temperature:   0 °C
       Direct, 75 eV
    

          18.0       2.3
          27.0       1.7
          28.0       1.7
          29.0       1.6
          31.0       1.3
          39.0       6.9
          41.0       3.3
          43.0       3.5
          44.0       1.3
          45.0       1.6
          50.0       1.9
          51.0       2.4
          53.0       1.1
          55.0       3.7
          56.0       1.3
          57.0       3.1
          60.0       2.3
          62.0       1.0
          63.0       3.3
          64.0       1.0
          65.0       8.6
          67.0       1.5
          68.0       1.0
          69.0       3.0
          70.0       1.2
          71.0       1.6
          73.0       1.6
          74.0       1.5
          75.0       2.7
          76.0       7.6
          77.0       3.6
          81.0       1.6
          82.0       1.2
          83.0       2.2
          84.0       1.0
          85.0       1.0
          87.0       1.6
          88.0       1.4
          89.0       1.1
          90.5       1.0
          93.0       5.9
          94.0       1.7
          94.5       1.9
          95.0       1.4
          97.0       1.7
          98.0       1.2
         100.0       1.5
         101.0       2.2
         104.0       8.3
         105.0       3.5
         106.5       1.4
         107.0       1.1
         109.0       1.3
         113.0       4.7
         113.5       1.0
         114.0       1.3
         115.0       5.5
         119.0       1.1
         121.0      19.8
         122.0       2.3
         126.0       1.3
         127.0       1.8
         127.5       1.6
         128.0       2.1
         136.0       1.0
         136.5       1.5
         137.0       1.0
         139.0       4.1
         140.0       1.6
         141.0       7.6
         142.0       1.2
         150.0       2.2
         151.0       3.5
         152.0       7.8
         153.0       2.0
         159.0       3.5
         163.0       1.2
         168.0       3.7
         169.0       2.8
         176.0       1.2
         180.0       4.4
         181.0      24.1
         182.0       3.8
         186.0       1.5
         187.0       1.4
         189.0       4.1
         190.0       1.1
         196.0       1.0
         197.0      19.7
         198.0       3.0
         200.0       1.1
         201.0       1.1
         202.0       4.1
         203.0       1.2
         213.0       2.9
         214.0       1.1
         215.0       5.3
         216.0       1.6
         218.0       1.6
         224.0       1.2
         225.0      62.9
         226.0      15.4
         227.0       3.9
         228.0       2.0
         229.0       1.0
         231.0       1.7
         239.0       1.1
         242.0       1.7
         243.0       1.5
         244.0       3.9
         245.0       2.6
         255.0       4.1
         256.0       2.4
         257.0      29.4
         258.0       6.4
         271.0       1.6
         272.0       1.1
         273.0      69.2
         274.0     100.0
         275.0      19.8
         276.0       2.3
         289.0       1.4
         318.0      56.1
         319.0      12.3
         320.0       1.8
    

90 MHz in DMSO-d6

400 MHz in DMSO-d6

  • 图谱

    1H NMR 89.56 MHz
    C20 H14 O4 0.045 g : 0.5 ml DMSO-d6
    3,3-bis(p-hydroxyphenyl)phthalide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.65 B 8.00 to 7.51 C 7.10 D 6.79

         Hz     ppm     Int.
    

        864.38   9.652   1000
        712.44   7.955    119
        711.19   7.941     78
        705.50   7.878    200
        704.25   7.864    140
        702.00   7.839     73
        700.56   7.823    105
        695.94   7.771    350
        695.19   7.763    362
        690.31   7.708    194
        687.50   7.677     82
        684.19   7.640     67
        683.06   7.627     78
        681.56   7.611     61
        641.88   7.168    535
        639.75   7.144    180
        635.25   7.094    220
        633.06   7.069    953
        630.31   7.038    139
        614.56   6.862    109
        611.81   6.832    960
        609.63   6.807    237
        605.00   6.756    170
        603.06   6.734    519
        600.88   6.710     60
        600.13   6.701     62
    

  • 图谱

    1H NMR 399.65 MHz
    C20 H14 O4 0.038 g : 0.5 ml DMSO-d6
    3,3-bis(p-hydroxyphenyl)phthalide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.70 B 7.916 C 7.816 D 7.768 E 7.646 F 7.109 G 6.788

         Hz     ppm     Int.
    

       3878.48   9.705   1000
       3873.90   9.694     23
       3168.03   7.928    159
       3164.37   7.918     23
       3160.40   7.908    184
       3132.32   7.838     54
       3125.00   7.820    148
       3117.98   7.802    128
       3106.99   7.775    221
       3099.37   7.756    110
       3062.90   7.664     98
       3055.27   7.645    161
       3048.25   7.628     74
       2845.76   7.121    658
       2837.07   7.099    764
       2717.13   6.799    754
       2708.44   6.778    670
    

in DMSO-d6

  • 图谱

KBr disc

  • 图谱

nujol mull

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4880 A,200 M,powder

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