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Back ChemicalBook Home>CAS DataBase List>271-89-6More Spectrum> Benzofuran(271-89-6) 1H NMR

Benzofuran(271-89-6) 1H NMR

Product NameBenzofuran

CAS271-89-6

Molecular FormulaC8H6O

Molecular Weight118.14

InChIInChI=1S/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6H

InChIKey IANQTJSKSUMEQM-UHFFFAOYSA-N

SmilesC12C=CC=CC=1OC=C2


  • Mass

    MS-NW-3084          
    benzofuran
    C8H6O               (Mass of molecular ion:    118)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          37.0       1.6
          38.0       2.7
          39.0       5.6
          40.0       1.0
          43.0       1.7
          45.0       2.7
          50.0       2.4
          51.0       3.0
          59.0       2.8
          61.0       2.1
          62.0       5.3
          63.0      13.4
          64.0       4.8
          86.0       1.2
          87.0       1.2
          89.0      29.4
          90.0      34.0
          91.0       2.6
         118.0     100.0
         119.0       9.0
    

parameter neat

parameter in CCl4

parameter in acetone

90 MHz in CDCl3


  • 1H NMR 300 MHz
    C8 H6 O neat
    benzofuran
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.270 D(B) 6.403 D(C) 7.409 D(D) 7.096 D(E) 7.103 D(F) 7.441 J(A,B) 2.30 J(A,C) 0.0 J(A,D) 0.0 J(A,E) 0.0 J(A,F) 0.0 J(B,C) 0.0 J(B,D) 0.0 J(B,E) 0.0 J(B,F) 0.98 J(C,D) 8.02 J(C,E) 1.09 J(C,F) 0.73 J(D,E) 7.30 J(D,F) 1.20 J(E,F) 8.03 BLACK,P.J. & HEFFERNAN,M.L. AUST.J.CHEM. 18, 353 (1965)

         Hz     ppm     Int.
    

       2241.44   7.471     33
       2240.57   7.469     31
       2237.87   7.460    157
       2237.11   7.457    244
       2236.29   7.454    178
       2234.58   7.449    173
       2233.72   7.446    253
       2232.80   7.443    229
       2231.78   7.439    176
       2230.79   7.436    214
       2229.50   7.432    180
       2227.81   7.426    568
       2227.09   7.424    471
       2225.05   7.417    229
       2224.11   7.414    139
       2223.22   7.411    241
       2221.83   7.406    288
       2221.34   7.404    318
       2218.64   7.395    354
       2217.99   7.393    315
       2214.38   7.381     64
       2213.70   7.379     44
       2182.15   7.274    983
       2179.87   7.266   1000
       2141.72   7.139     17
       2139.21   7.131     98
       2137.65   7.125     74
       2134.28   7.114    851
       2131.85   7.106    473
       2130.44   7.101    455
       2128.88   7.096    442
       2127.58   7.092    446
       2125.10   7.084    804
       2121.66   7.072     52
       2120.24   7.067     74
       2117.71   7.059     15
       1922.50   6.408    560
       1921.58   6.405    586
       1920.23   6.401    579
       1919.29   6.398    549
    


  • 1H NMR 300 MHz
    C8 H6 O 0.048 g : 1 ml CCl4
    benzofuran
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.520 D(B) 6.659 D(C) 7.488 D(D) 7.131 D(E) 7.193 D(F) 7.416 J(A,B) 2.19 J(A,C) 0. J(A,D) 0. J(A,E) 0. J(A,F) 0. J(B,C) 0. J(B,D) 0. J(B,E) 0. J(B,F) 0.87 J(C,D) 7.87 J(C,E) 1.28 J(C,F) 0.80 J(D,E) 7.27 J(D,F) 0.92 J(E,F) 8.43 BLACK,P.J. & HEFFERNAN,M.L. AUST.J.CHEM. 18, 353 (1965)

         Hz     ppm     Int.
    

       2257.10   7.524    980
       2254.92   7.516   1000
       2251.50   7.505    291
       2250.72   7.502    342
       2250.10   7.500    328
       2249.11   7.497    286
       2243.79   7.479    341
       2243.25   7.477    383
       2242.39   7.475    361
       2241.62   7.472    342
       2229.68   7.432    314
       2228.75   7.429    322
       2222.45   7.408    204
       2221.50   7.405    402
       2220.47   7.402    437
       2166.80   7.223    192
       2165.34   7.218    214
       2159.54   7.198    411
       2158.10   7.194    393
       2157.14   7.190    188
       2151.49   7.172    362
       2149.85   7.166    312
       2146.49   7.155    393
       2145.19   7.151    410
       2138.85   7.129    415
       2137.76   7.126    435
       2131.56   7.105    177
       2130.46   7.102    159
       1999.21   6.664    582
       1998.37   6.661    606
       1997.02   6.657    601
       1996.19   6.654    571
    


  • 1H NMR 300 MHz
    C8 H6 O 0.050 g : 1 ml acetone
    benzofuran
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.784 D(B) 6.761 D(C) 7.632 D(D) 7.230 D(E) 7.296 D(F) 7.512 J(A,B) 2.15 J(A,C) 0. J(A,D) 0. J(A,E) 0. J(A,F) 0. J(B,C) 0. J(B,D) 0. J(B,E) 0. J(B,F) 0.91 J(C,D) 7.81 J(C,E) 1.31 J(C,F) 0.71 J(D,E) 7.30 J(D,F) 0.93 J(E,F) 8.36 BLACK,P.J. & HEFFERNAN,M.L. AUST.J.CHEM. 18, 353 (1965)

         Hz     ppm     Int.
    

       2336.28   7.788    987
       2334.14   7.780   1000
       2294.61   7.649    293
       2293.95   7.646    332
       2293.19   7.644    321
       2292.34   7.641    290
       2286.49   7.622    387
       2285.52   7.618    367
       2284.87   7.616    347
       2257.66   7.526    331
       2251.22   7.504    208
       2250.32   7.501    417
       2249.35   7.498    431
       2197.65   7.325    199
       2196.19   7.321    219
       2190.37   7.301    413
       2188.91   7.296    397
       2188.05   7.293    200
       2182.34   7.274    353
       2180.71   7.269    308
       2176.24   7.254    387
       2174.98   7.250    402
       2168.65   7.229    438
       2167.55   7.225    451
       2161.31   7.204    183
       2160.22   7.201    166
       2029.80   6.766    582
       2028.94   6.763    610
       2027.67   6.759    606
       2026.79   6.756    571
    


  • 1H NMR 89.56 MHz
    C8 H6 O 0.05 ml : 0.5 ml CDCl3
    benzofuran
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.55 B 7.54 C 7.47 D 7.25 E 7.20 F 6.688

         Hz     ppm     Int.
    

        681.56   7.611    143
        680.94   7.604    174
        679.38   7.586    150
        676.38   7.553   1000
        674.19   7.528    741
        673.25   7.518    207
        672.44   7.509    333
        671.94   7.503    408
        671.06   7.493    195
        669.94   7.481    128
        668.13   7.461    157
        667.06   7.449    217
        666.69   7.445    256
        665.81   7.435    320
        665.00   7.426    178
        663.31   7.407     63
        662.38   7.396     66
        658.38   7.352     55
        656.00   7.325    141
        652.94   7.291     71
        651.25   7.272    430
        649.50   7.253    572
        649.00   7.247    355
        645.81   7.211    469
        642.81   7.178    340
        641.31   7.161    240
        640.69   7.154    314
        635.75   7.099     87
        635.31   7.094     44
        600.63   6.707    556
        599.69   6.696    535
        598.38   6.682    532
        597.44   6.671    515
    

in CDCl3



liquid film





Benzofuran(271-89-6) 1H NMR Atlas of Related Products

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