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603-34-9

三苯胺(603-34-9)ESR图谱

产品名称:三苯胺

CAS:603-34-9

分子式:C18H15N

分子量: 245.32

InChI:InChI=1S/C18H15N/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H

InChIKey: ODHXBMXNKOYIBV-UHFFFAOYSA-N

Smiles:C1(N(C2=CC=CC=C2)C2=CC=CC=C2)=CC=CC=C1

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    Mass

    MS-NW-1448          
    triphenylamine
    C18H15N             (Mass of molecular ion:    245)
    

       Source Temperature: 250 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          28.0       1.0
          39.0       2.5
          50.0       1.3
          51.0       8.8
          63.0       1.3
          65.0       1.6
          77.0       8.8
         108.5       2.1
         115.0       4.1
         120.5       1.0
         121.5       1.2
         122.5       3.2
         139.0       1.6
         140.0       1.5
         141.0       6.8
         142.0       7.4
         143.0       1.1
         166.0       7.3
         167.0      11.7
         168.0       3.6
         217.0       1.0
         241.0       1.7
         242.0       2.4
         243.0       5.9
         244.0      26.9
         245.0     100.0
         246.0      20.0
         247.0       1.8
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C18 H15 N 0.045 g : 0.5 ml CDCl3
    triphenylamine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.23 B 7.13 C 6.97

         Hz     ppm     Int.
    

        656.75   7.334    107
        655.44   7.319    202
        653.50   7.297     91
        651.44   7.274     40
        649.69   7.255    300
        648.88   7.246    155
        647.75   7.233    378
        646.88   7.223    206
        646.31   7.217    359
        645.50   7.208    231
        643.88   7.190    206
        641.25   7.161    784
        640.38   7.151    650
        639.38   7.140    283
        638.19   7.126    376
        637.38   7.117    448
        636.06   7.103    947
        635.56   7.097   1000
        632.13   7.059    387
        631.00   7.046    328
        629.63   7.031    206
        628.81   7.022    372
        626.94   7.001    235
        625.06   6.980    144
        624.00   6.968    391
        620.75   6.932     71
        619.44   6.917     85
        617.44   6.895    135
        615.69   6.875     60
    

in CDCl3

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CCl4 solution

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KBr disc

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nujol mull

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CATION RADICAL, IN LIQ. SO2

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