94-32-6

4-(正丁基氨基)苯甲酸乙酯(94-32-6)核磁图(¹³CNMR)

产品名称:4-(正丁基氨基)苯甲酸乙酯

CAS:94-32-6

分子式:C13H19NO2

分子量: 221.3

InChI:InChI=1S/C13H19NO2/c1-3-5-10-14-12-8-6-11(7-9-12)13(15)16-4-2/h6-9,14H,3-5,10H2,1-2H3

InChIKey: GTXRSQYDLPYYNW-UHFFFAOYSA-N

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

Mass

MS-IW-5483          
ethyl p-(butylamino)benzoate
C13H19NO2           (Mass of molecular ion:    221)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       1.3
      28.0       4.2
      29.0       2.4
      32.0       1.1
      39.0       1.0
      41.0       1.3
      52.5       1.0
      65.0       3.4
      66.5       1.5
      76.0       1.5
      77.0       2.8
      78.0       1.5
      79.0       1.5
      91.0       2.0
      92.0       4.1
     104.0       2.5
     105.0       4.8
     106.0       2.6
     118.0       1.2
     119.0       1.0
     120.0       2.2
     132.0       1.9
     134.0       1.1
     150.0      25.8
     151.0       2.3
     176.0      13.8
     177.0       2.2
     178.0     100.0
     179.0      11.5
     180.0       1.0
     221.0      26.0
     222.0       4.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₁₉ N O₂	0.047 g : 0.5 ml CDCl₃
ethyl p-(butylamino)benzoate

    Assign.     Shift(ppm)

      A             7.860
      B             6.531
      C             4.307
      D             4.1
      E             3.141
      F             1.595
      G             1.417
      J             1.352
      K             0.951

     Hz     ppm     Int.

   3148.68   7.879     57
   3146.12   7.873    414
   3144.04   7.867    147
   3141.97   7.862     37
   3139.16   7.855    141
   3137.08   7.850    462
   3134.64   7.844     70
   2617.31   6.550     57
   2614.87   6.543    386
   2612.92   6.539    138
   2607.91   6.526    129
   2605.96   6.521    398
   2603.39   6.515     61
   1732.18   4.335    150
   1724.98   4.317    474
   1717.90   4.299    484
   1710.69   4.281    162
   1262.57   3.160    180
   1255.37   3.142    296
   1248.29   3.124    193
    652.95   1.634     43
    645.87   1.617    117
    643.68   1.611     59
    638.55   1.598    177
    636.23   1.592     89
    631.23   1.580    141
    623.66   1.561     68
    584.96   1.464     39
    577.64   1.446    118
    570.07   1.427    175
    562.26   1.407    175
    559.08   1.399     41
    558.11   1.397     47
    555.05   1.389    115
    551.88   1.381     44
    547.49   1.370    519
    540.41   1.353   1000
    536.13   1.342     47
    533.20   1.335    496
    387.21   0.969    423
    379.88   0.951    855
    372.56   0.933    377

in CDCl3