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
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1H NMR 399.65 MHz C28 H16 O2 saturated in CDCl3 delta(10,10')-bianthrone 
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
