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2,3,13,14-Tetraethylbianthra[2,1-b;1',2'-d]thiophene-1,4,12,15-tetraone
SpectraBase Compound ID LLFYcjD7nn0
InChI InChI=1S/C36H28O4S/c1-5-19-21(7-3)35(39)27-15-23-17(13-25(27)33(19)37)9-11-29-31(23)32-24-16-28-26(14-18(24)10-12-30(32)41-29)34(38)20(6-2)22(8-4)36(28)40/h9-16H,5-8H2,1-4H3
InChIKey DHIBVALLQRUJEJ-UHFFFAOYSA-N
Mol Weight 556.7 g/mol
Molecular Formula C36H28O4S
Exact Mass 556.170831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Y7Jt5cwLVM
Name 2,3,13,14-Tetraethylbianthra[2,1-b;1',2'-d]thiophene-1,4,12,15-tetraone
Alternate Name(s) 2,3,13,16-Tetraethylbianthra[2,1-b;1',2'-d]thiophene-1,4,12,15-tetraone 3,4,14,15-tetraethyldianthra[2,1-b:1,2-d]thiophene-2,5,13,16-tetrone
Comments Less than 3 mono-isotopic peaks
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Formula C36H28O4S
InChI InChI=1S/C36H28O4S/c1-5-19-21(7-3)35(39)27-15-23-17(13-25(27)33(19)37)9-11-29-31(23)32-24-16-28-26(14-18(24)10-12-30(32)41-29)34(38)20(6-2)22(8-4)36(28)40/h9-16H,5-8H2,1-4H3
InChIKey DHIBVALLQRUJEJ-UHFFFAOYSA-N
Molecular Weight 556.676 g/mol
SMILES c12c3c4cc5C(C(CC)=C(C(c5cc4ccc3sc1ccc1cc3C(C(CC)=C(C(c3cc21)=O)CC)=O)=O)CC)=O
SPLASH splash10-0a4i-0000090000-79d671bdc2e0a155646f
Source of Spectrum C5-2005-1120-27
Wiley ID 1581971