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Back ChemicalBook Home>CAS DataBase List>98-03-3More Spectrum> 2-Thiophenecarboxaldehyde(98-03-3) 13C NMR

98-03-3

2-Thiophenecarboxaldehyde(98-03-3) 13C NMR

Molecular FormulaC5H4OS

Molecular Weight112.15

InChIInChI=1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H

InChIKey CNUDBTRUORMMPA-UHFFFAOYSA-N

SmilesC1(C=O)SC=CC=1

  • 2-Thiophenecarboxaldehyde(98-03-3) <sup>13</sup>C NMR
    Mass

    MS-NW-1125          
    2-thiophenecarbaldehyde
    C5H4OS              (Mass of molecular ion:    112)
    

       Source Temperature: 240 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          26.0       1.1
          28.0       3.0
          29.0       3.4
          37.0       3.7
          38.0       5.2
          39.0      29.5
          40.0       1.1
          42.0       1.8
          44.0       1.5
          45.0      15.5
          49.0       1.7
          50.0       3.2
          51.0       1.9
          53.0       1.3
          57.0       8.5
          58.0      10.5
          69.0       2.6
          81.0       3.5
          82.0       3.4
          83.0      12.2
          84.0       3.5
         111.0     100.0
         112.0      90.7
         113.0       9.9
         114.0       4.5
    

parameter in DMSO-d6

parameter in acetone-d6

parameter in benzene-d6

  • 2-Thiophenecarboxaldehyde(98-03-3) <sup>13</sup>C NMR

    1H NMR 300 MHz
    C5 H4 O S 5 mol% in DMSO
    2-thiophenecarbaldehyde
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.13 D(B) 7.94 D(C) 8.03 D(D) 9.97 J(A,B) 5.05 J(A,C) 1.37 J(A,D) 1.33 J(B,C) 3.85 J(B,D) 0.00 J(C,D) -0.14 SALMAN,S.R. ORG.MAGN.RESON. 20, 151 (1982)

         Hz     ppm     Int.
    

       2991.65   9.972    996
       2990.36   9.968   1000
       2442.95   8.143    263
       2441.64   8.139    468
       2440.31   8.134    292
       2437.94   8.126    322
       2436.62   8.122    554
       2435.31   8.118    330
       2411.74   8.039    445
       2410.37   8.035    448
       2407.88   8.026    617
       2406.53   8.022    547
       2386.19   7.954    577
       2382.31   7.941    505
       2381.22   7.937    544
       2377.34   7.924    371
    

  • 2-Thiophenecarboxaldehyde(98-03-3) <sup>13</sup>C NMR

    1H NMR 300 MHz
    C5 H4 O S 5 mol% in acetone-d6
    2-thiophenecarbaldehyde
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.94 D(B) 7.30 D(C) 7.99 D(D) 9.99 J(A,B) 3.84 J(A,C) 1.29 J(A,D) -0.13 J(B,C) 4.85 J(B,D) 0.09 J(C,D) 1.24 SALMAN,S.R. ORG.MAGN.RESON. 20, 151 (1982)

         Hz     ppm     Int.
    

       2997.62   9.992    997
       2996.40   9.988   1000
       2400.74   8.002    263
       2399.47   7.998    506
       2398.23   7.994    307
       2395.89   7.986    283
       2394.65   7.982    528
       2393.40   7.978    318
       2384.57   7.949    532
       2383.27   7.944    474
       2380.73   7.936    565
       2379.44   7.931    477
       2194.31   7.314    500
       2190.46   7.302    535
       2189.49   7.298    536
       2185.63   7.285    455
    

  • 2-Thiophenecarboxaldehyde(98-03-3) <sup>13</sup>C NMR

    1H NMR 300 MHz
    C5 H4 O S 5 mol% in benzene-d6
    2-thiophenecarbaldehyde
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 6.96 D(B) 6.56 D(C) 7.05 D(D) 9.54 J(A,B) 4.95 J(A,C) 1.38 J(A,D) 1.18 J(B,C) 3.75 J(B,D) 0.14 J(C,D) -0.15 SALMAN,S.R. ORG.MAGN.RESON. 20, 151 (1982)

         Hz     ppm     Int.
    

       2862.59   9.542    998
       2861.43   9.538   1000
       2117.63   7.059    474
       2116.25   7.054    519
       2113.86   7.046    501
       2112.51   7.042    537
       2091.80   6.973    291
       2090.53   6.968    477
       2089.26   6.964    276
       2086.84   6.956    324
       2085.58   6.952    516
       2084.31   6.948    288
       1972.30   6.574    508
       1968.56   6.562    524
       1967.35   6.558    510
       1963.60   6.545    445
    

in CDCl3

  • 2-Thiophenecarboxaldehyde(98-03-3) <sup>13</sup>C NMR

liquid film

  • 2-Thiophenecarboxaldehyde(98-03-3) <sup>13</sup>C NMR

  • 2-Thiophenecarboxaldehyde(98-03-3) <sup>13</sup>C NMR

2-Thiophenecarboxaldehyde(98-03-3) 13C NMR Atlas of Related Products

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