128420-54-2

10-丁基-2-氯-9(10H)-吖啶酮(128420-54-2)红外图谱(IR1)

产品名称:10-丁基-2-氯-9(10H)-吖啶酮

CAS:128420-54-2

分子式:C17H16ClNO

分子量: 285.77

InChI:InChI=1S/C17H16ClNO/c1-2-3-10-19-15-7-5-4-6-13(15)17(20)14-11-12(18)8-9-16(14)19/h4-9,11H,2-3,10H2,1H3

InChIKey: VYMSWGOFSKMMCE-UHFFFAOYSA-N

Smiles:C1=C2C(N(CCCC)C3=C(C2=O)C=CC=C3)=CC=C1Cl

Mass

MS-IW-2643          
10-butyl-2-chloro-9-acridone
C17H16ClNO          (Mass of molecular ion:    285)

   Source Temperature: 140 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      27.0       2.0
      29.0       9.0
      39.0       2.1
      41.0       5.0
      50.0       1.3
      51.0       1.5
      55.0       1.2
      57.0       2.1
      63.0       1.6
      75.0       2.6
      76.0       1.9
      77.0       3.4
      89.0       1.2
     111.0       1.3
     121.5       1.0
     138.0       1.4
     139.0       1.8
     140.0       1.6
     150.0       1.0
     151.0       3.1
     152.0       5.0
     153.0       1.0
     164.0       3.7
     165.0       2.3
     166.0       4.2
     174.0       1.0
     177.0       1.5
     178.0       3.4
     179.0       5.0
     194.0       3.0
     200.0       3.4
     201.0       1.2
     202.0       1.3
     207.0       1.3
     214.0       7.7
     215.0       1.5
     216.0       2.6
     228.0       1.7
     229.0       7.8
     230.0       1.8
     231.0       2.5
     242.0     100.0
     243.0      15.9
     244.0      33.3
     245.0       5.2
     285.0      49.7
     286.0       9.8
     287.0      16.7
     288.0       3.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₇ H₁₆ Cl N O	0.054 g : 0.5 ml CDCl₃
10-butyl-2-chloro-9-acridone

    Assign.     Shift(ppm)

      A             8.415
      B             8.354
      C             7.651
      D             7.493
      E             7.378
      F             7.300
      G             7.200
      J             4.183
      K             1.802
      L             1.544
      M             1.053
     
     J(A,C)=1.7HZ
     J(A,G)=8.1HZ
     J(B,D)=2.7HZ
     J(C,E)=8.8HZ
     J(C,G)=7.0HZ
     J(D,F)=9.2HZ
     J(E,G)=0.9HZ

     Hz     ppm     Int.

   3367.92   8.428    178
   3366.21   8.423    179
   3359.86   8.408    187
   3358.15   8.403    181
   3340.21   8.358    413
   3337.52   8.352    414
   3067.02   7.675     92
   3065.19   7.670     94
   3060.06   7.657    111
   3058.23   7.653    201
   3056.52   7.648    121
   3051.27   7.635    124
   3049.56   7.631    120
   3001.22   7.510    205
   2998.54   7.503    204
   2992.07   7.487    253
   2989.38   7.480    256
   2953.00   7.389    207
   2944.21   7.367    179
   2921.88   7.312    283
   2912.60   7.288    235
   2885.38   7.220    129
   2884.52   7.218    134
   2878.42   7.203    141
   2877.44   7.200    217
   2876.59   7.198    153
   2870.36   7.183    122
   2869.63   7.181    124
   1680.30   4.205    158
   1677.12   4.197     48
   1672.00   4.184    155
   1663.70   4.163    168
    737.30   1.845     41
    729.98   1.827     83
    727.66   1.821     73
    721.44   1.806    132
    718.14   1.797     71
    715.94   1.792     70
    713.62   1.786    107
    711.43   1.781     69
    705.44   1.766     54
    635.99   1.592     31
    628.54   1.573    114
    620.97   1.554    182
    613.40   1.535    184
    605.96   1.517    113
    598.63   1.498     32
    428.34   1.072    464
    421.02   1.054   1000
    413.57   1.035    441

in CDCl3

KBr disc

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