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返回ChemicalBook首页>CAS数据库列表>83558-87-6更多图谱> 2,2-双(3-氨基-4-羟基苯基)六氟丙烷(83558-87-6)质谱(MS)

83558-87-6

2,2-双(3-氨基-4-羟基苯基)六氟丙烷(83558-87-6)质谱(MS)

分子式:C15H12F6N2O2

分子量: 366.26

InChI:InChI=1S/C15H12F6N2O2/c16-14(17,18)13(15(19,20)21,7-1-3-11(24)9(22)5-7)8-2-4-12(25)10(23)6-8/h1-6,24-25H,22-23H2

InChIKey: MSTZGVRUOMBULC-UHFFFAOYSA-N

Smiles:C(C1=CC=C(O)C(N)=C1)(C1=CC=C(O)C(N)=C1)(C(F)(F)F)C(F)(F)F

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    Mass

    MS-IW-2134          
    4,4'-(2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)bis(2-aminophenol)
    C15H12F6N2O2        (Mass of molecular ion:    366)
    

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

          18.0       4.4
          28.0       1.7
          51.0       1.6
          52.0       1.3
          53.0       1.5
          63.0       1.2
          77.0       2.0
          80.0       1.1
          91.0       1.5
          91.5       5.9
          92.0       1.1
          99.0       1.9
          99.5       1.3
         100.0       1.2
         100.5       1.0
         101.5       1.1
         105.0       1.2
         105.5       1.3
         109.0       1.1
         113.5       1.7
         114.0       2.4
         115.0       1.0
         116.0       1.3
         125.5       1.0
         126.0       1.3
         134.0       1.2
         139.5       1.1
         140.0       2.5
         148.0       1.0
         148.5       1.6
         154.0       3.0
         155.0       1.1
         174.0       2.3
         182.0       2.2
         183.0       7.6
         184.0       1.2
         198.0       1.3
         199.0       1.2
         207.0       5.3
         208.0       1.2
         210.0       2.0
         211.0       2.9
         212.0       1.3
         222.0       1.8
         227.0       2.7
         228.0       1.2
         229.0       1.4
         232.0       1.4
         235.0       1.3
         250.0       1.1
         251.0       8.0
         252.0      22.7
         253.0       3.4
         263.0      17.2
         264.0       3.4
         278.0       1.6
         279.0       6.3
         280.0      11.0
         281.0       2.5
         296.0       1.4
         297.0      31.1
         298.0       5.1
         320.0       9.4
         321.0       1.7
         347.0       2.5
         348.0       2.6
         349.0       1.7
         365.0       3.1
         366.0     100.0
         367.0      17.6
         368.0       1.9
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C15 H12 F6 N2 O2 0.054 g : 0.5 ml DMSO-d6
    4,4'-(2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)bis(2-aminophenol)
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.4 B 6.669 C 6.595 D 6.445 E 4.7

         Hz     ppm     Int.
    

       3767.09   9.426     65
       2669.83   6.681    822
       2661.44   6.660   1000
       2650.15   6.632     23
       2647.40   6.625     21
       2635.04   6.594    675
       2579.65   6.455    375
       2571.41   6.435    318
       1864.93   4.667    201
    

in DMSO-d6

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KBr disc

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nujol mull

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