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1201-26-9

吲哚-3-丙酮(1201-26-9)核磁图(13CNMR)

产品名称:吲哚-3-丙酮

CAS:1201-26-9

分子式:C11H11NO

分子量: 173.21

InChI:InChI=1S/C11H11NO/c1-8(13)6-9-7-12-11-5-3-2-4-10(9)11/h2-5,7,12H,6H2,1H3

InChIKey: LDVHYJKRIKBISQ-UHFFFAOYSA-N

Smiles:C(C1C2=C(NC=1)C=CC=C2)C(=O)C

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    Mass

    MS-NW-6695          
    (3-indolyl)acetone
    C11H11NO            (Mass of molecular ion:    173)
    

       Source Temperature: 160 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          15.0       1.4
          28.0       1.0
          39.0       1.4
          43.0       4.7
          50.0       1.7
          51.0       3.6
          52.0       1.4
          63.0       1.9
          65.0       1.3
          74.0       1.3
          75.0       2.0
          76.0       2.3
          77.0      10.7
          78.0       1.1
         101.0       1.2
         102.0       4.4
         103.0       7.7
         128.0       2.5
         129.0       3.7
         130.0     100.0
         131.0      10.2
         173.0      21.7
         174.0       2.8
    

400 MHz in CDCl3

90 MHz in CDCl3

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    1H NMR 399.65 MHz
    C11 H11 N O 0.025 g : 0.5 ml CDCl3
    (3-indolyl)acetone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.26 B 7.529 C 7.318 D 7.193 E 7.128 F 7.035 G 3.805 J 2.155 90MHZ : HSP-03-604

         Hz     ppm     Int.
    

       3301.51   8.262     37
       3012.94   7.539    116
       3005.13   7.520    127
       2928.83   7.329    110
       2920.90   7.309    147
       2882.57   7.213     63
       2881.71   7.211     68
       2874.63   7.193    125
       2867.55   7.176     77
       2866.58   7.173     77
       2855.71   7.146     94
       2854.74   7.144    102
       2847.78   7.126    133
       2840.70   7.108     56
       2839.97   7.107     58
       2812.50   7.038    155
       2810.91   7.034    157
       1520.63   3.805    531
        861.45   2.156   1000
    

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    1H NMR 89.56 MHz
    C11 H11 N O 0.040 g : 0.5 ml CDCl3
    (3-indolyl)acetone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.3 B 7.51 C 7.29 D 7.17 E 7.11 F 6.990 G 3.787 J 2.140

         Hz     ppm     Int.
    

        678.06   7.572     39
        676.63   7.556     32
        672.00   7.504     45
        668.94   7.470     66
        655.50   7.320     30
        654.13   7.304     36
        651.25   7.272     73
        649.88   7.257    106
        648.94   7.246    131
        647.31   7.228     52
        645.38   7.207     72
        644.38   7.195    132
        642.56   7.175    191
        638.69   7.132    103
        635.63   7.098     85
        634.94   7.090     63
        633.31   7.072     65
        629.25   7.027     33
        627.13   7.003     98
        625.00   6.979     96
        339.19   3.788    386
        191.69   2.141   1000
    

in CDCl3

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KBr disc

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nujol mull

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