Methyl indole-5-carboxylate(1011-65-0) IR1

Product NameMethyl indole-5-carboxylate

CAS 1011-65-0

Molecular FormulaC10H9NO2

Molecular Weight175.18

InChIInChI=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

SmilesN1C2=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

¹H NMR	399.65 MHz
C₁₀H₉NO₂	0.040 g : 0.5 ml CDCl₃
methyl 5-indolecarboxylate

    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