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5558-66-7

2,2-二苯基丙酸(5558-66-7)紅外圖譜(IR2)

產(chǎn)品名稱:2,2-二苯基丙酸

CAS:5558-66-7

分子式:C15H14O2

分子量: 226.27

InChI:InChI=1S/C15H14O2/c1-15(14(16)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,16,17)

InChIKey: ODELFXJUOVNEFZ-UHFFFAOYSA-N

Smiles:C(C)(C(=O)O)(C1C=CC=CC=1)C1C=CC=CC=1

  • 圖譜
    Mass 

    MS-NW-6571          
2,2-diphenylpropionic acid
C15H14O2            (Mass of molecular ion:    226)


       Source Temperature: 170 °C
   Sample Temperature: 110 °C
   Direct, 75 eV


          17.0       6.3
      18.0      29.8
      28.0       1.6
      39.0       2.1
      43.0       1.0
      50.0       1.4
      51.0       5.3
      63.0       2.0
      69.0       1.3
      75.0       1.1
      76.0       3.2
      77.0      13.2
      78.0       1.8
      82.0       2.2
      82.5       2.5
      83.0       4.3
      89.0       4.4
      89.5       1.6
      90.0       1.4
     102.0       1.7
     103.0      24.7
     104.0       2.7
     105.0       1.5
     115.0       1.7
     139.0       1.1
     152.0       2.4
     153.0       1.8
     164.0       1.0
     165.0      14.7
     166.0      12.6
     167.0       5.9
     178.0       4.2
     179.0       5.3
     180.0       3.1
     181.0     100.0
     182.0      16.0
     183.0       1.4
     226.0      18.1
     227.0       3.0

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C15 H14 O2 0.049 g : 0.5 ml CDCl3
    2,2-diphenylpropionic acid
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A            11.
      B          7.39 to 7.15
      C             1.921
  

         Hz     ppm     Int.


        651.12   7.271   1000
    172.01   1.921    206

in CDCl3

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KBr disc

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nujol mull

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