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Back ChemicalBook Home>CAS DataBase List>434-85-5More Spectrum> Bianthrone(434-85-5) IR2

Bianthrone(434-85-5) IR2

Product NameBianthrone

CAS434-85-5

Molecular FormulaC28H16O2

Molecular Weight384.43

InChIInChI=1S/C28H16O2/c29-27-21-13-5-1-9-17(21)25(18-10-2-6-14-22(18)27)26-19-11-3-7-15-23(19)28(30)24-16-8-4-12-20(24)26/h1-16H

InChIKey MGRRGKWPEVFJSH-UHFFFAOYSA-N

SmilesC1=C2C(/C(=C3\C4=CC=CC=C4C(=O)C4=C\3C=CC=C4)/C3=C(C2=O)C=CC=C3)=CC=C1

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C28 H16 O2 saturated in CDCl3
    delta(10,10')-bianthrone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.090 B 7.386 C 7.128 D 7.053

         Hz     ppm     Int.
    

       3237.92   8.102    674
       3237.06   8.100    746
       3230.10   8.083    726
       3229.37   8.081    791
       2960.45   7.408    370
       2959.35   7.405    444
       2952.03   7.387    830
       2945.43   7.371    414
       2944.34   7.368    478
       2857.91   7.152    313
       2856.69   7.148    359
       2850.10   7.132    682
       2848.88   7.129    740
       2842.77   7.114    449
       2841.55   7.111    502
       2821.90   7.061   1000
       2814.09   7.042    613
    

in CDCl3



KBr disc



nujol mull



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