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5698-59-9

苯并[C]噻吩-1,3-二酮(5698-59-9)核磁图(1HNMR)

分子式:C8H4O2S

分子量: 164.18

InChI:InChI=1S/C8H4O2S/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H

InChIKey: LYWRIGIFLAVWAF-UHFFFAOYSA-N

Smiles:C1(=O)SC(=O)C2=CC=CC=C12

parameter in CDCl3

  • 图谱

    1H NMR 300 MHz
    C8 H4 O2 S in CDCl3
    phthalic thioanhydride
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.969 D(B) 7.801 J(A,A') 0.60 J(A,B) 7.60 J(A,B') 1.14 J(A',B) 1.14 J(A',B') 7.60 J(B,B') 7.60 GALASSO,V. ET AL. ORG.MAGN.RESON. 7, 591 (1975)

         Hz     ppm     Int.
    

       2400.30   8.001     45
       2399.14   7.997     58
       2395.37   7.985    725
       2392.18   7.974    762
       2389.82   7.966    674
       2386.62   7.955   1000
       2382.66   7.942    107
       2381.87   7.940     93
       2349.13   7.830     93
       2348.34   7.828    107
       2344.39   7.815   1000
       2341.19   7.804    674
       2338.82   7.796    762
       2335.63   7.785    725
       2331.86   7.773     58
       2330.70   7.769     45
    

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