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93-89-0

苯甲酸乙酯(93-89-0)Raman光谱

产品名称:苯甲酸乙酯

CAS:93-89-0

分子式:C9H10O2

分子量: 150.17

InChI:InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChIKey: MTZQAGJQAFMTAQ-UHFFFAOYSA-N

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

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    Mass

    MS-NW-0439          
    ethyl benzoate
    C9H10O2             (Mass of molecular ion:    150)
    

       Source Temperature: 240 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          27.0       3.8
          28.0       1.0
          29.0       3.3
          39.0       1.2
          45.0       1.5
          50.0       5.4
          51.0      16.0
          52.0       1.0
          74.0       1.6
          75.0       1.2
          76.0       2.4
          77.0      40.6
          78.0       4.0
         105.0     100.0
         106.0       9.1
         122.0      30.7
         123.0       2.6
         135.0       1.0
         149.0       1.7
         150.0      21.8
         151.0       2.3
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C9 H10 O2 0.05 ml : 0.5 ml CDCl3
    ethyl benzoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.05 B 7.52 C 7.41 D 4.355 E 1.380

         Hz     ppm     Int.
    

        728.38   8.133     44
        725.56   8.102    226
        724.00   8.084    238
        722.38   8.066    121
        721.50   8.057    104
        720.06   8.040    111
        718.50   8.023    220
        718.06   8.018    214
        715.81   7.993    257
        683.06   7.627     32
        681.31   7.608     34
        676.38   7.553     91
        675.19   7.539    113
        671.50   7.498    212
        669.69   7.478    501
        667.63   7.455    194
        665.88   7.436    101
        663.88   7.413    138
        662.88   7.402    173
        662.25   7.395    202
        660.31   7.373     39
        659.38   7.363     36
        658.06   7.348     42
        656.56   7.331     64
        655.13   7.315     31
        653.44   7.297     42
        402.00   4.489    134
        394.69   4.407    439
        391.19   4.368     30
        387.56   4.328    462
        380.56   4.250    156
        130.56   1.458    490
        128.50   1.435     39
        123.50   1.379   1000
        120.00   1.340     38
        116.31   1.299    431
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,200 M,liquid

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