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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>402-45-9更多圖譜> 對三氟甲基苯酚(402-45-9)質(zhì)譜(MS)

402-45-9

對三氟甲基苯酚(402-45-9)質(zhì)譜(MS)

產(chǎn)品名稱:對三氟甲基苯酚

CAS:402-45-9

分子式:C7H5F3O

分子量: 162.11

InChI:InChI=1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H

InChIKey: BAYGVMXZJBFEMB-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-NW-8820          
p-(trifluoromethyl)phenol
C7H5F3O             (Mass of molecular ion:    162)


       Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV


          38.0       2.5
      39.0       6.5
      50.0       2.2
      51.0       1.6
      53.0       2.3
      56.0       1.0
      57.0       4.3
      62.0       2.1
      63.0       6.4
      64.0       2.0
      65.0       4.5
      69.0       1.7
      71.5       1.0
      74.0       1.0
      75.0       3.0
      81.0       2.2
      83.0       5.2
      84.0       2.8
      88.0       2.7
      89.0       1.1
      95.0       4.0
     112.0      27.7
     113.0       6.9
     114.0       7.7
     115.0       2.1
     132.0       1.4
     133.0       5.0
     141.0       1.0
     142.0       1.0
     143.0      48.0
     144.0       3.8
     145.0       3.2
     161.0       8.8
     162.0     100.0
     163.0       7.8

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C7 H5 F3 O 0.043 g : 0.5 ml DMSO-d6
    p-(trifluoromethyl)phenol
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A            10.29
      B             7.529
      C             6.952
  

         Hz     ppm     Int.


        927.76  10.360     31
    922.05  10.296   1000
    918.82  10.260     34
    685.69   7.657     27
    685.25   7.652     28
    679.69   7.590    391
    679.10   7.583    420
    675.29   7.541     91
    675.00   7.537     89
    670.75   7.490    563
    667.46   7.453     97
    628.78   7.021    141
    626.73   6.998    529
    626.07   6.991    559
    623.88   6.967    188
    621.75   6.943     85
    619.92   6.922    191
    617.80   6.899    438
    614.36   6.860     67

in DMSO-d6

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

  • 圖譜

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