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942-24-5

吲哚-3-甲酸甲酯(942-24-5)Raman光谱

产品名称:吲哚-3-甲酸甲酯

CAS:942-24-5

分子式:C10H9NO2

分子量: 175.18

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

InChIKey: QXAUTQFAWKKNLM-UHFFFAOYSA-N

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

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    Mass

    MS-IW-8671          
    methyl 3-indolecarboxylate
    C10H9NO2            (Mass of molecular ion:    175)
    

       Source Temperature: 200 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          39.0       1.7
          57.5       1.1
          58.0       3.6
          62.0       2.2
          63.0       3.8
          72.0       4.8
          87.0       1.1
          87.5       1.9
          88.0       2.2
          89.0      12.0
          90.0       2.0
         114.0       1.3
         115.0       3.1
         116.0      17.1
         117.0       3.6
         130.0       1.0
         143.0       2.0
         144.0     100.0
         145.0      10.6
         146.0       2.7
         175.0      53.3
         176.0       6.2
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C10 H9 N O2 0.041 g : 0.5 ml DMSO-d6
    methyl 3-indolecarboxylate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.0 B 8.133 C 8.057 D 7.526 E 7.22 F 3.835

         Hz     ppm     Int.
    

       4791.09  11.989     64
       3251.94   8.137    182
       3249.19   8.131    179
       3225.01   8.070     94
       3221.53   8.061     61
       3218.60   8.054     92
       3216.22   8.048     94
       3012.17   7.538     88
       3010.16   7.532     91
       3006.68   7.524     64
       3003.56   7.516    111
       2898.79   7.254     38
       2893.48   7.241    114
       2890.73   7.234    147
       2887.44   7.225    204
       2883.59   7.216    150
       2881.58   7.211    115
       2876.08   7.197     39
       1532.74   3.836   1000
    

in DMSO-d6

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KBr disc

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nujol mull

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