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bis[4'-(Hexyloxy)-[1,1'-biphenyl-4-yl] Tricyclo[8.2.2.2(4,7)]hexadeca-4,6,10,12,13,15-hexaene-5,15-dicarboxylate
SpectraBase Compound ID HAF45wSh2wF
InChI InChI=1S/C54H56O6/c1-3-5-7-9-35-57-47-27-19-41(20-28-47)43-23-31-49(32-24-43)59-53(55)51-37-46-18-16-40-13-11-39(12-14-40)15-17-45(51)38-52(46)54(56)60-50-33-25-44(26-34-50)42-21-29-48(30-22-42)58-36-10-8-6-4-2/h11-14,19-34,37-38H,3-10,15-18,35-36H2,1-2H3
InChIKey ZCTTUWHYAORHHR-UHFFFAOYSA-N
Mol Weight 801.0 g/mol
Molecular Formula C54H56O6
Exact Mass 800.40769 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9b8rpt2SnIJ
Name bis[4'-(Hexyloxy)-[1,1'-biphenyl-4-yl] Tricyclo[8.2.2.2(4,7)]hexadeca-4,6,10,12,13,15-hexaene-5,15-dicarboxylate
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Formula C54H56O6
InChI InChI=1S/C54H56O6/c1-3-5-7-9-35-57-47-27-19-41(20-28-47)43-23-31-49(32-24-43)59-53(55)51-37-46-18-16-40-13-11-39(12-14-40)15-17-45(51)38-52(46)54(56)60-50-33-25-44(26-34-50)42-21-29-48(30-22-42)58-36-10-8-6-4-2/h11-14,19-34,37-38H,3-10,15-18,35-36H2,1-2H3
InChIKey ZCTTUWHYAORHHR-UHFFFAOYSA-N
Molecular Weight 801.036 g/mol
SMILES C(c1c2cc(C(Oc3ccc(cc3)-c3ccc(cc3)OCCCCCC)=O)c(c1)CCc1ccc(CC2)cc1)(Oc1ccc(cc1)-c1ccc(cc1)OCCCCCC)=O
SPLASH splash10-001i-0200090010-0fca1f8bb6fef8ef453c
Source of Spectrum H-85-440-0
Wiley ID 1523974