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978-86-9

三苯甲基苯酚(978-86-9)核磁图(1HNMR)

产品名称:三苯甲基苯酚

CAS:978-86-9

分子式:C25H20O

分子量: 336.43

InChI:InChI=1S/C25H20O/c26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19,26H

InChIKey: NIPKXTKKYSKEON-UHFFFAOYSA-N

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

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    Mass

    MS-NW-7850          
    p-tritylphenol
    C25H20O             (Mass of molecular ion:    336)
    

       Source Temperature: 200 °C
       Sample Temperature: 170 °C
       Direct, 75 eV
    

          51.0       1.2
          55.0       1.3
          77.0       2.1
          91.0       1.6
          94.0       1.4
         115.0       2.2
         129.0       3.2
         139.0       1.1
         151.0       1.6
         152.0       5.1
         153.0       2.9
         154.0       1.9
         164.0       1.5
         165.0      25.1
         166.0       6.0
         167.0       2.6
         168.0       2.0
         181.0      16.0
         182.0       3.9
         183.0       1.3
         189.0       1.2
         202.0       2.8
         203.0       1.2
         215.0       4.1
         216.0       1.3
         226.0       2.5
         227.0       1.7
         228.0       3.4
         229.0       2.6
         231.0       1.0
         239.0       4.2
         240.0       1.7
         241.0       3.5
         242.0       1.7
         243.0       6.8
         244.0       4.6
         257.0       5.1
         258.0       2.6
         259.0     100.0
         260.0      21.2
         261.0       2.5
         334.0       1.3
         335.0       2.1
         336.0      37.2
         337.0      10.3
         338.0       1.5
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C25 H20 O 0.029 g : 0.5 ml DMSO-d6
    p-tritylphenol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.38 B 7.272 C 7.185 D 7.130 E 6.913 F 6.687

         Hz     ppm     Int.
    

       3747.56   9.378    320
       2915.16   7.295    380
       2911.62   7.286    148
       2907.71   7.276    863
       2900.02   7.257    700
       2877.81   7.201    359
       2876.71   7.199    300
       2870.48   7.183    500
       2863.28   7.165    203
       2862.18   7.162    161
       2854.13   7.142    752
       2852.78   7.139   1000
       2845.58   7.121    755
       2844.60   7.118    727
       2770.26   6.932     50
       2767.33   6.925    337
       2765.38   6.920    143
       2762.70   6.913     48
       2760.62   6.908    137
       2758.54   6.903    428
       2755.49   6.895     58
       2679.08   6.704     60
       2675.90   6.696    410
       2673.95   6.691    152
       2671.02   6.684     46
       2669.07   6.679    122
       2667.11   6.674    354
       2664.06   6.666     45
    

DMSO-d6

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KBr disc

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nujol mull

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