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614-18-6

烟酸乙酯(614-18-6)红外图谱(IR1)

产品名称:烟酸乙酯

CAS:614-18-6

分子式:C8H9NO2

分子量: 151.16

InChI:InChI=1S/C8H9NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h3-6H,2H2,1H3

InChIKey: XBLVHTDFJBKJLG-UHFFFAOYSA-N

Smiles:C1=NC=CC=C1C(OCC)=O

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    Mass

    MS-NW-0970          
    ethyl nicotinate
    C8H9NO2             (Mass of molecular ion:    151)
    

       Source Temperature: 280 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.0
          18.0       1.3
          26.0       2.9
          27.0      10.0
          28.0       2.9
          29.0      13.6
          38.0       1.3
          39.0       2.5
          45.0       7.6
          49.0       1.6
          50.0      12.9
          51.0      38.0
          52.0       7.0
          53.0       2.3
          76.0       1.6
          77.0       6.3
          78.0      66.7
          79.0      13.8
         105.0      18.9
         106.0     100.0
         107.0      10.0
         108.0       1.4
         123.0      49.1
         124.0       4.5
         150.0       6.7
         151.0      26.9
         152.0       2.5
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H9 N O2 0.04 ml : 0.5 ml CDCl3
    ethyl nicotinate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.234 B 8.771 C 8.297 D 7.392 E 4.419 F 1.419

         Hz     ppm     Int.
    

        828.31   9.249    117
        827.63   9.242    126
        826.25   9.226    138
        825.44   9.217    125
        789.13   8.812     94
        787.31   8.791    108
        784.25   8.757    105
        782.50   8.738    114
        749.31   8.367     76
        747.56   8.348    104
        745.44   8.324     72
        741.44   8.279     94
        739.63   8.259    127
        737.44   8.235     82
        668.50   7.465     94
        667.63   7.455     91
        663.69   7.411     90
        662.81   7.401     83
        660.56   7.376     82
        659.69   7.366     76
        655.69   7.322     74
        654.88   7.313     69
        406.88   4.544    120
        399.63   4.463    429
        392.50   4.383    452
        385.50   4.305    143
        134.00   1.497    458
        126.94   1.418   1000
        119.75   1.338    408
    

in CDCl3

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liquid film

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