Benzofuran-2-carboxylic acid(496-41-3) Raman

Product NameBenzofuran-2-carboxylic acid

CAS 496-41-3

Molecular FormulaC9H6O3

Molecular Weight162.14

InChIInChI=1S/C9H6O3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)

InChIKey OFFSPAZVIVZPHU-UHFFFAOYSA-N

SmilesO1C2=CC=CC=C2C=C1C(O)=O

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Mass

MS-KW-0265          
2-benzofurancarboxylic acid
C9H6O3              (Mass of molecular ion:    162)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       1.3
      28.0       2.8
      37.0       1.5
      38.0       2.6
      39.0       9.1
      43.0       2.3
      44.0       3.6
      44.5       5.0
      45.0       3.3
      50.0       3.3
      51.0       4.0
      52.0       1.0
      53.0       1.3
      58.5       1.0
      61.0       2.5
      62.0       7.9
      63.0      16.3
      64.0       3.0
      67.0       4.0
      72.5       1.2
      77.0       3.2
      78.0       9.6
      86.0       1.8
      87.0       2.0
      88.0       2.1
      89.0      28.9
      90.0      11.0
     105.0       2.5
     106.0       1.5
     118.0       7.1
     134.0       6.9
     145.0      38.1
     146.0       3.9
     162.0     100.0
     163.0      10.0
     164.0       1.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₉H₆O₃	0.039 g : 0.5 ml DMSO-d₆
2-benzofurancarboxylic acid

    Assign.     Shift(ppm)

     A          13.6
     B           7.830
     C           7.741
     D           7.720
     E           7.535
     F           7.388