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1011-65-0

吲哚-5-甲酸甲酯(1011-65-0)质谱(MS)

产品名称:吲哚-5-甲酸甲酯

CAS:1011-65-0

分子式:C10H9NO2

分子量: 175.18

InChI:InChI=1S/C10H9NO2/c1-13-10(12)8-2-3-9-7(6-8)4-5-11-9/h2-6,11H,1H3

InChIKey: DRYBMFJLYYEOBZ-UHFFFAOYSA-N

Smiles:N1C2=C(C=C(C(OC)=O)C=C2)C=C1

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    Mass

    MS-KW-0539          
    indole-5-carboxylic acid methyl ester
    C10H9NO2            (Mass of molecular ion:    175)
    

       Source Temperature: 150 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          28.0       1.7
          38.0       1.1
          39.0       2.7
          50.0       1.2
          51.0       1.3
          52.0       1.0
          57.5       2.3
          58.0      11.7
          58.5       1.4
          62.0       4.4
          63.0       7.2
          64.0       1.4
          65.0       1.3
          72.0      10.1
          72.5       1.2
          76.0       1.0
          78.5       1.3
          86.0       1.0
          87.0       2.0
          87.5       1.7
          88.0       3.6
          89.0      15.7
          90.0       2.7
         114.0       1.9
         115.0       6.1
         116.0      49.4
         117.0       6.0
         130.0       1.8
         143.0       2.9
         144.0     100.0
         145.0      10.5
         146.0       1.0
         159.0       1.4
         174.0       2.7
         175.0      75.1
         176.0       8.7
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C10H9NO2 0.040 g : 0.5 ml CDCl3
    methyl 5-indolecarboxylate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.8 B 8.432 C 7.898 D 7.368 E 7.230 F 6.620 G 3.926

         Hz     ppm     Int.
    

       3512.94   8.788     22
       3371.46   8.434    140
       3370.61   8.432    147
       3369.88   8.430    144
       3162.72   7.912    100
       3161.14   7.908    100
       3154.18   7.890    109
       3152.47   7.886    109
       2949.59   7.378    119
       2940.92   7.357    112
       2893.44   7.238     90
       2890.14   7.230    129
       2887.82   7.224     92
       2649.30   6.627     65
       2648.44   6.625     73
       2647.34   6.622     78
       2646.25   6.620    107
       2645.27   6.617     76
       2644.05   6.614     71
       2643.19   6.612     63
       1569.34   3.926   1000
    

in CDCl3

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KBr disk

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Nujol

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