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Methyl nicotinate

Product Name Methyl nicotinate

CAS93-60-7

MFC7H7NO2

MW137.14

¹³CNMR

Mass

MS-NW-4926          
methyl nicotinate
C7H7NO2             (Mass of molecular ion:    137)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0      10.4
      26.0       2.2
      27.0       3.1
      28.0       4.2
      29.0       2.1
      37.0       1.1
      38.0       1.9
      39.0       3.9
      49.0       2.0
      50.0      13.7
      51.0      38.4
      52.0       5.9
      53.0       2.8
      59.0       2.2
      66.0       1.2
      76.0       1.8
      77.0       5.6
      78.0      76.6
      79.0       5.9
      93.0       2.5
     105.0       7.0
     106.0     100.0
     107.0       7.2
     109.0       3.7
     136.0      13.7
     137.0      46.2
     138.0       4.1

parameter in DMSO-d6

90 MHz in CDCl3

¹H NMR	300 MHz
C₇ H₇ N O₂	30 % in DMSO
methyl nicotinate

    Parameter     ppm  Hz

      D(A)         9.21
      D(B)         8.35
      D(C)         7.61
      D(D)         8.93
       J(A,B)          1.5
       J(A,C)          0.3
       J(A,D)          0.0
       J(B,C)          7.6
       J(B,D)          1.5
       J(C,D)          4.9
     
      D(E)         3.97
     
     BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.)
     66, 159 (1962)

     Hz     ppm     Int.

   2763.76   9.213    170
   2762.30   9.208    172
   2682.24   8.941     91
   2680.78   8.936     94
   2677.33   8.924     95
   2675.87   8.920     95
   2510.35   8.368     51
   2508.84   8.363     89
   2507.38   8.358     50
   2502.77   8.343     55
   2501.31   8.338     96
   2499.80   8.333     53
   2289.19   7.631     80
   2284.29   7.614     82
   2281.61   7.605     79
   2276.71   7.589     75
   1191.00   3.970   1000

¹H NMR	89.56 MHz
C₇ H₇ N O₂	0.044 g : 0.5 ml CDCl₃
methyl nicotinate

    Assign.     Shift(ppm)

      A             3.959
      B             7.392
      C             8.293
      D             8.775
      E             9.227

     Hz     ppm     Int.

    827.75   9.243     54
    826.94   9.234     57
    825.63   9.219     63
    824.69   9.209     59
    789.31   8.814     45
    787.56   8.794     51
    784.50   8.760     48
    782.69   8.740     54
    748.94   8.363     37
    747.13   8.343     48
    746.75   8.338     41
    744.94   8.318     34
    740.94   8.274     45
    739.19   8.254     56
    738.81   8.250     51
    737.00   8.230     40
    668.69   7.467     46
    667.75   7.456     46
    663.81   7.412     43
    662.94   7.403     42
    660.69   7.378     39
    659.81   7.368     38
    655.88   7.324     37
    655.06   7.315     46
    354.56   3.959   1000

in CDCl3

CCl4 solution

KBr disc

nujol mull

UV IRRAD. IN SOLUTION

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