草酰苯胺乙酯(1457-85-8)核磁圖(¹³CNMR)

產(chǎn)品名稱:草酰苯胺乙酯

CAS:1457-85-8

分子式:C10H11NO3

分子量: 193.2

InChI:InChI=1S/C10H11NO3/c1-2-14-10(13)9(12)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,11,12)

InChIKey: YDGAUBHNAKCSKF-UHFFFAOYSA-N

Smiles:C(OCC)(=O)C(=O)NC1=CC=CC=C1

Mass

MS-NW-6617          
ethyl oxanilate
C10H11NO3           (Mass of molecular ion:    193)

   Source Temperature: 240 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       1.0
      18.0       1.7
      26.0       1.8
      27.0       9.6
      28.0       3.8
      29.0      42.4
      30.0       1.2
      31.0       1.7
      37.0       1.1
      38.0       2.6
      39.0       8.9
      40.0       1.5
      41.0       1.2
      44.0       3.2
      45.0       2.3
      50.0       3.6
      51.0      11.1
      52.0       2.2
      62.0       1.0
      63.0       3.3
      64.0       4.5
      65.0      14.2
      66.0       6.2
      76.0       3.1
      77.0      48.0
      78.0       4.2
      79.0       1.4
      91.0       5.5
      92.0      33.5
      93.0      22.1
      94.0       2.2
     103.0       4.3
     106.0       8.3
     107.0       1.0
     119.0      27.8
     120.0     100.0
     121.0      13.7
     122.0       1.1
     193.0      67.6
     194.0       8.3
     195.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₁ N O₃	0.046 g : 0.5 ml CDCl₃
ethyl oxanilate

    Assign.     Shift(ppm)

      A             8.9
      B             7.64
      C             7.37
      D             7.16
      E             4.393
      F             1.407
     
     J(E,F)=7.1HZ.

     Hz     ppm     Int.

    690.44   7.710     94
    688.81   7.692    146
    686.63   7.667     45
    683.50   7.632     93
    681.63   7.611    218
    680.44   7.598    228
    668.25   7.462     66
    666.31   7.440     85
    664.31   7.418     38
    662.44   7.397     35
    659.75   7.367    233
    658.00   7.348     71
    657.13   7.338     45
    653.69   7.299     68
    652.06   7.281    142
    650.81   7.267    110
    649.63   7.254     99
    648.00   7.236    178
    646.44   7.218     89
    643.94   7.191     46
    641.00   7.158     92
    640.25   7.149     31
    634.00   7.080     34
    404.63   4.518    109
    397.31   4.437    421
    390.19   4.357    447
    383.19   4.279    132
    133.00   1.486    448
    125.94   1.407   1000
    118.75   1.326    395

in CDCl3