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网站主页CAS数据库列表 88-14-2更多图谱糠酸(88-14-2)红外图谱(IR1)

糠酸

产品名称 糠酸

CAS号88-14-2

分子式C5H4O3

分子量112.08

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  • 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
    ChemicalStructure
        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
    ChemicalStructure
        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



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