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2',3'-Dihexyl-9,10-trianthrylene
SpectraBase Compound ID FT0yGuLaOJT
InChI InChI=1S/C54H50/c1-3-5-7-9-21-37-35-49-50(36-38(37)22-10-8-6-4-2)54(52-45-29-17-13-25-41(45)34-42-26-14-18-30-46(42)52)48-32-20-19-31-47(48)53(49)51-43-27-15-11-23-39(43)33-40-24-12-16-28-44(40)51/h11-20,23-36H,3-10,21-22H2,1-2H3
InChIKey MNLUZPSHKIKCNC-UHFFFAOYSA-N
Mol Weight 699.0 g/mol
Molecular Formula C54H50
Exact Mass 698.391252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FgfVMDqxwoM
Name 2',3'-Dihexyl-9,10-trianthrylene
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Formula C54H50
InChI InChI=1S/C54H50/c1-3-5-7-9-21-37-35-49-50(36-38(37)22-10-8-6-4-2)54(52-45-29-17-13-25-41(45)34-42-26-14-18-30-46(42)52)48-32-20-19-31-47(48)53(49)51-43-27-15-11-23-39(43)33-40-24-12-16-28-44(40)51/h11-20,23-36H,3-10,21-22H2,1-2H3
InChIKey MNLUZPSHKIKCNC-UHFFFAOYSA-N
Molecular Weight 698.994 g/mol
SMILES c1(c2c(cc(c(c2)CCCCCC)CCCCCC)c(c2c1cccc2)-c1c2c(cccc2)cc2c1cccc2)-c1c2c(cccc2)cc2c1cccc2
SPLASH splash10-002b-0204009100-9c14504e253685b2bbe2
Source of Spectrum K-127-441-3
Synonyms 9,10-bis(anthracen-9-yl)-2,3-dihexylanthracene
Wiley ID 1415022