ChemicalBook
English   Japanese   Germany   Korea
返回ChemicalBook首页>CAS数据库列表>7598-91-6更多图谱> 5-羟基-2-甲基吲哚-3-羧酸乙酯(7598-91-6)Raman光谱

7598-91-6

5-羟基-2-甲基吲哚-3-羧酸乙酯(7598-91-6)Raman光谱

分子式:C12H13NO3

分子量: 219.24

InChI:InChI=1S/C12H13NO3/c1-3-16-12(15)11-7(2)13-10-5-4-8(14)6-9(10)11/h4-6,13-14H,3H2,1-2H3

InChIKey: BSNHKSUAAMJXBB-UHFFFAOYSA-N

Smiles:N1C2=C(C=C(O)C=C2)C(C(OCC)=O)=C1C

  • 图谱
    Mass

    MS-NW-7875          
    ethyl 5-hydroxy-2-methyl-3-indolecarboxylate
    C12H13NO3           (Mass of molecular ion:    219)
    

       Source Temperature: 180 °C
       Sample Temperature: 170 °C
       Direct, 75 eV
    

          18.0       2.5
          27.0       3.1
          28.0       3.9
          29.0       3.5
          31.0       1.1
          39.0       4.0
          42.0       1.5
          43.0       1.2
          50.0       1.2
          51.0       2.9
          52.0       2.7
          53.0       3.9
          55.0       1.4
          58.5       1.9
          63.0       4.1
          64.0       2.6
          65.0       7.9
          66.0       1.3
          72.5       1.3
          73.0       1.8
          75.0       2.0
          76.0       1.6
          77.0       2.4
          78.0       1.3
          80.0       3.0
          81.0       2.7
          86.5       2.1
          87.0       6.7
          89.0       7.0
          90.0       5.7
          91.0       8.2
          92.0       1.5
         101.0       1.2
         102.0       1.0
         105.0       1.9
         116.0       4.8
         117.0       8.7
         118.0       5.6
         119.0       4.0
         128.0       1.2
         144.0       7.4
         145.0      15.4
         146.0      28.5
         147.0      22.6
         148.0       2.7
         160.0       1.4
         161.0       1.6
         162.0       4.8
         172.0      13.7
         173.0      22.2
         174.0      85.3
         175.0      11.3
         176.0       1.4
         190.0      51.3
         191.0      21.0
         192.0       2.7
         204.0       4.0
         218.0       4.2
         219.0     100.0
         220.0      14.0
         221.0       1.7
    

parameter in DMSO-d6

  • 图谱

    1H NMR 300 MHz
    C12 H13 N O3 0.041 g : 0.5 ml DMSO-d6
    ethyl 5-hydroxy-2-methyl-3-indolecarboxylate
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 11.5 D(B) 8.85 D(C) 7.360 D(D) 7.157 D(E) 6.644 J(C,D) 0.0 J(C,E) 2.4 J(D,E) 8.6 D(F) 4.264 D(J) 1.352 J(F,J) 7.1 D(G) 2.619

         Hz     ppm     Int.
    

       3450.00  11.500     77
       2655.04   8.850    498
       2209.22   7.364    257
       2206.87   7.356    262
       2151.56   7.172    236
       2143.00   7.143    263
       1998.54   6.662    139
       1996.28   6.654    137
       1989.98   6.633    125
       1987.63   6.625    122
       1289.92   4.300    124
       1282.87   4.276    373
       1275.72   4.252    379
       1268.67   4.229    130
        785.69   2.619   1000
        412.67   1.376    377
        405.62   1.352    750
        398.56   1.329    365
    

in DMSO-d6

  • 图谱

KBr disc

  • 图谱

nujol mull

  • 图谱

  • 图谱

×