771-50-6

Indole-3-carboxylic acid(771-50-6) MS

Product NameIndole-3-carboxylic acid

CAS 771-50-6

Molecular FormulaC9H7NO2

Molecular Weight161.16

InChIInChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)

InChIKey KMAKOBLIOCQGJP-UHFFFAOYSA-N

SmilesN1C2=C(C=CC=C2)C(C(O)=O)=C1

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¹HNMR

IR1

IR2

Indole-3-carboxylic acid(771-50-6) MS
Mass

MS-NW-2193          
3-indolecarboxylic acid
C9H7NO2             (Mass of molecular ion:    161)

   Source Temperature: 250 °C
   Sample Temperature: 200 °C
   Direct, 75 eV

      17.0       1.3
      18.0       7.0
      27.0       1.1
      28.0       3.5
      37.0       2.2
      38.0       3.7
      39.0       8.1
      40.0       1.1
      43.0       1.1
      44.0      14.5
      45.0       1.0
      50.0       4.1
      51.0       4.8
      52.0       2.4
      57.5       2.1
      58.0       3.4
      58.5       3.3
      61.0       3.0
      62.0       9.5
      63.0      13.3
      64.0       4.0
      65.0       2.0
      66.5       1.9
      71.5       1.4
      72.0       3.0
      74.0       1.4
      75.0       1.3
      76.0       1.6
      77.0       4.7
      78.0       1.5
      80.5       2.0
      85.0       1.0
      86.0       2.0
      87.0       3.7
      88.0       7.0
      89.0      29.5
      90.0      25.1
      91.0       2.2
     104.0       2.7
     105.0       1.3
     114.0       4.4
     115.0      13.8
     116.0      23.8
     117.0      59.8
     118.0       5.4
     132.0       2.9
     133.0       1.4
     143.0      17.9
     144.0      74.9
     145.0       7.7
     160.0       1.0
     161.0     100.0
     162.0      10.0