5-METHYLINDOLE-2-CARBOXYLIC ACID(10241-97-1) ¹³C NMR

Product Name5-METHYLINDOLE-2-CARBOXYLIC ACID

CAS 10241-97-1

Molecular FormulaC10H9NO2

Molecular Weight175.18

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

InChIKey DAITVOCMWPNFTL-UHFFFAOYSA-N

SmilesN1C2=C(C=C(C)C=C2)C=C1C(O)=O

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Mass

MS-NW-6974          
5-methyl-2-indolecarboxylic acid
C10H9NO2            (Mass of molecular ion:    175)

   Source Temperature: 180 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       2.8
      27.0       2.3
      28.0       2.1
      38.0       1.8
      39.0       3.9
      45.0       1.6
      50.0       5.2
      51.0      11.1
      52.0       4.5
      53.0       1.3
      62.0       2.7
      63.0       4.8
      64.0       3.2
      64.5       3.2
      65.0       2.7
      74.0       2.6
      75.0       4.5
      76.0       4.8
      77.0      13.2
      78.0       5.9
      78.5       4.5
      79.0       1.2
      87.0       1.1
      87.5       1.5
      88.0       1.2
      89.0       1.3
      91.0       1.8
     100.0       1.3
     101.0       7.1
     102.0      16.8
     103.0      16.6
     104.0       1.9
     127.0       2.1
     128.0      14.4
     129.0      41.1
     130.0      10.7
     131.0       2.9
     146.0       1.4
     156.0       7.4
     157.0     100.0
     158.0      12.7
     159.0       1.0
     174.0       1.7
     175.0      85.2
     176.0       9.8
     177.0       1.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₀ H₉ N O₂	0.033 g : 0.5 ml DMSO-d₆
5-methyl-2-indolecarboxylic acid

    Assign.     Shift(ppm)

      A            13.
      B            11.7
      C             7.410
      D             7.351
      E             7.079
      F             7.019
      G             2.367

     Hz     ppm     Int.

   4658.47  11.657    130
   2961.44   7.411    244
   2942.39   7.363    173
   2933.96   7.342    203
   2833.77   7.091    155
   2832.30   7.087    143
   2825.34   7.070    133
   2823.69   7.066    125
   2806.48   7.023    233
   2804.46   7.018    226
    946.24   2.368   1000

in DMSO-d6