Methyl indole-3-carboxylate(942-24-5) ¹³C NMR

Product NameMethyl indole-3-carboxylate

CAS 942-24-5

Molecular FormulaC10H9NO2

Molecular Weight175.18

InChIInChI=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

SmilesN1C2=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

¹H NMR	399.65 MHz
C₁₀ H₉ N O₂	0.041 g : 0.5 ml DMSO-d₆
methyl 3-indolecarboxylate

    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