582-33-2

3-氨基苯甲酸乙酯(582-33-2)红外图谱(IR1)

产品名称:3-氨基苯甲酸乙酯

CAS:582-33-2

分子式:C9H11NO2

分子量: 165.19

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

InChIKey: ZMCBYSBVJIMENC-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-KW-0086          
ethyl m-aminobenzoate
C9H11NO2            (Mass of molecular ion:    165)

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

      26.0       1.0
      27.0       4.1
      28.0       4.3
      29.0       4.2
      38.0       2.0
      39.0       9.6
      40.0       1.0
      41.0       2.7
      46.0       3.9
      51.0       1.0
      52.0       2.9
      53.0       1.0
      60.0       6.2
      62.0       1.3
      63.0       4.7
      64.0       4.9
      65.0      31.0
      66.0       5.3
      80.0       1.0
      90.0       1.4
      91.0       6.2
      92.0      66.3
      93.0      31.1
      94.0       2.3
     109.0       1.5
     119.0       2.0
     120.0     100.0
     121.0      15.4
     122.0       1.2
     137.0      29.5
     138.0       2.5
     150.0       4.4
     165.0      87.3
     166.0       9.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₁ N O₂	0.05 ml : 0.5 ml CDCl₃
ethyl m-aminobenzoate

    Assign.     Shift(ppm)

      A             7.413
      B             7.352
      C             7.174
      D             6.817
      E             4.325
      F             3.79
      G             1.346

     Hz     ppm     Int.

   2968.14   7.427    127
   2967.04   7.425    155
   2966.67   7.424    158
   2965.58   7.421    140
   2960.45   7.408    144
   2958.98   7.404    185
   2957.89   7.402    159
   2940.31   7.358    195
   2938.11   7.352    228
   2936.52   7.348    182
   2875.12   7.195    179
   2867.19   7.175    315
   2859.50   7.156    169
   2730.10   6.832    145
   2729.13   6.829    152
   2727.66   6.826    144
   2726.56   6.823    142
   2722.17   6.812    128
   2721.07   6.809    133
   2719.60   6.805    131
   2718.63   6.803    126
   1739.75   4.354    217
   1732.54   4.336    583
   1725.46   4.318    584
   1718.26   4.300    223
   1515.38   3.792     77
    545.29   1.365    612
    538.21   1.347   1000
    533.81   1.336     36
    531.01   1.329    591

in CDCl3