N-Ethyl-3,4-(methylenedioxy)aniline(32953-14-3) ¹³C NMR

Product NameN-Ethyl-3,4-(methylenedioxy)aniline

CAS 32953-14-3

Molecular FormulaC9H11NO2

Molecular Weight165.19

InChIInChI=1S/C9H11NO2/c1-2-10-7-3-4-8-9(5-7)12-6-11-8/h3-5,10H,2,6H2,1H3

InChIKey FPKGTVXPIULTIP-UHFFFAOYSA-N

SmilesO1C2=CC=C(NCC)C=C2OC1

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¹HNMR

¹³CNMR

IR1

N-Ethyl-3,4-(methylenedioxy)aniline(32953-14-3) <sup>13</sup>C NMR
Mass

MS-NW-7516          
N-ethyl-3,4-methylenedioxyaniline
C9H11NO2            (Mass of molecular ion:    165)

   Source Temperature: 250 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      26.0       1.1
      27.0       4.4
      28.0       5.3
      29.0       2.8
      38.0       1.5
      39.0       3.9
      40.0       1.0
      41.0       1.3
      42.0       1.3
      50.0       2.6
      51.0       8.1
      52.0       7.2
      53.0       3.5
      54.0       1.5
      62.0       2.4
      63.0       4.7
      64.0       1.9
      65.0       8.3
      66.0       1.3
      67.0       1.1
      68.0       1.7
      73.5       1.1
      74.5      10.7
      75.0       4.7
      77.0       2.8
      78.0      13.2
      79.0       4.9
      80.0       4.6
      81.5       2.1
      82.5       1.1
      91.0       1.5
      92.0       6.1
      93.0       4.8
      94.0       1.1
     104.0       1.1
     106.0       6.1
     107.0       2.4
     108.0       1.3
     120.0       7.3
     121.0       4.1
     122.0       6.3
     134.0       1.8
     136.0       5.4
     137.0       1.3
     148.0       2.7
     149.0       2.1
     150.0     100.0
     151.0      10.5
     152.0       1.1
     163.0       1.4
     164.0       5.7
     165.0      66.3
     166.0       7.0
     178.0       2.5
     193.0       1.3

90 MHz in CDCl3

N-Ethyl-3,4-(methylenedioxy)aniline(32953-14-3) <sup>13</sup>C NMR

¹H NMR	89.56 MHz
C₉ H₁₁ N O₂	0.05 ml : 0.5 ml CDCl₃
N-ethyl-3,4-methylenedioxyaniline

    Assign.     Shift(ppm)

      A             6.614
      B             6.210
      C             6.008
      D             5.792
      E             3.15
      F             3.060
      G             1.190

     Hz     ppm     Int.

    597.31   6.670    140
    596.94   6.666    129
    589.06   6.578    187
    588.69   6.574    171
    557.13   6.221    132
    554.94   6.197    165
    542.75   6.061    123
    540.44   6.035     93
    534.50   5.969     90
    532.19   5.943     73
    518.75   5.793   1000
    284.19   3.174    110
    277.06   3.094    207
    269.94   3.015    209
    262.94   2.936     76
    113.38   1.266    239
    106.38   1.188    491
     99.19   1.108    199
     97.31   1.087     33

in CDCl3