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2-Furoic acid

Product Name 2-Furoic acid

CAS88-14-2

MFC5H4O3

MW112.08

¹³CNMR

Mass

MS-NW-1671          
2-furoic acid
C5H4O3              (Mass of molecular ion:    112)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       1.2
      25.0       1.0
      26.0       1.8
      27.0       2.2
      28.0       3.4
      29.0       7.5
      36.0       1.3
      37.0       8.2
      38.0      13.6
      39.0      47.3
      40.0       4.5
      41.0       1.7
      42.0       3.9
      44.0       2.0
      45.0       7.2
      51.0       1.0
      53.0       1.9
      55.0       6.4
      56.0       2.1
      66.0       1.8
      67.0       4.3
      68.0       1.3
      84.0       4.6
      95.0      75.2
      96.0       4.2
     112.0     100.0
     113.0       5.9

in DMSO_d6

90 MHz in CDCl3

parameter in CDCl3

1HNMR (400 MHz, DMSO) δ 7.90 (dd, J = 1.64, 0.76 Hz, 1H), 7.22 (dd, J = 3.48, 0.76 Hz, 1H), 6.64 (dd, J = 3.44, 1.72 Hz, 1H) ;

¹H NMR	89.56 MHz
C₅ H₄ O₃	0.038 g : 0.5 ml CDCl₃
2-furoic acid

    Assign.     Shift(ppm)

      A            12.36
      B             7.659
      C             7.350
      D             6.571
     
     J(B,D)=1.7HZ, J(B,C)=0.9HZ, J(C,D)=3.6HZ

     Hz     ppm     Int.

   1107.51  12.367   1000
    687.27   7.674    469
    686.41   7.665    509
    685.56   7.655    492
    684.70   7.646    467
    660.69   7.378    450
    659.84   7.368    424
    657.10   7.337    506
    656.25   7.328    450
    591.14   6.601    453
    589.34   6.581    455
    587.55   6.561    429
    585.84   6.542    407

¹H NMR	300 MHz
C₅ H₄ O₃	0.038 g : 0.5 ml CDCl₃
2-furoic acid

    Parameter     ppm  Hz

      D(A)        12.36
     
      D(B)         7.659
      D(C)         7.350
      D(D)         6.571
       J(B,C)          0.9
       J(B,D)          1.7
       J(C,D)          3.6

     Hz     ppm     Int.

   3707.99  12.360   1000
   2299.00   7.663    561
   2298.09   7.660    641
   2297.33   7.658    644
   2296.47   7.655    583
   2207.27   7.358    540
   2206.41   7.355    538
   2203.66   7.346    561
   2202.80   7.343    548
   1973.95   6.580    504
   1972.28   6.574    514
   1970.35   6.568    504
   1968.68   6.562    485

in CDCl3

in DMSO_d6

13CNMR (100MHz, DMSO) δ 159.81, 147.44, 145.38, 118.16, 112.52.

KBr disc

nujol mull

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