614-18-6

煙酸乙酯(614-18-6)紅外圖譜(IR1)

產(chǎn)品名稱:煙酸乙酯

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

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

¹H NMR	89.56 MHz
C₈ H₉ N O₂	0.04 ml : 0.5 ml CDCl₃
ethyl nicotinate

    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