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120-44-5

脫氧茴香偶姻(120-44-5)紅外圖譜(IR2)

產(chǎn)品名稱:脫氧茴香偶姻

CAS:120-44-5

分子式:C16H16O3

分子量: 256.3

InChI:InChI=1S/C16H16O3/c1-18-14-7-3-12(4-8-14)11-16(17)13-5-9-15(19-2)10-6-13/h3-10H,11H2,1-2H3

InChIKey: SICBLYCPRWNHHP-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC=C(OC)C=C1)CC1=CC=C(OC)C=C1

  • 圖譜
    Mass 

    MS-IW-0049          
4'-methoxy-2-(p-methoxyphenyl)acetophenone
C16H16O3            (Mass of molecular ion:    256)


       Source Temperature: 160 °C
   Sample Temperature: 100 °C
   Direct, 75 eV


          64.0       1.5
      77.0       8.9
      78.0       1.9
      91.0       1.1
      92.0       3.8
     107.0       6.5
     121.0       8.3
     135.0     100.0
     136.0       9.2
     256.0       9.3
     257.0       1.6

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C16 H16 O3 0.036 g : 0.5 ml CDCl3
    4'-methoxy-2-(p-methoxyphenyl)acetophenone
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             7.983
      B             7.175
      C             6.913
      D             6.851
      E             4.160
      F             3.839
      G             3.765
  

         Hz     ppm     Int.


       3195.19   7.995    255
   3193.12   7.990     76
   3188.23   7.978     79
   3186.16   7.973    251
   3183.35   7.966     31
   2872.07   7.187    181
   2870.36   7.183     61
   2865.48   7.170     68
   2863.40   7.165    199
   2767.33   6.925    254
   2765.14   6.919     75
   2760.38   6.907     76
   2758.30   6.902    237
   2755.37   6.895     30
   2742.31   6.862    242
   2740.11   6.857     76
   2735.60   6.845     71
   2733.52   6.840    212
   1662.84   4.161    429
   1534.30   3.840    953
   1504.64   3.765   1000

in CDCl3

  • 圖譜

KBr disc

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nujol mull

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