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6,4'-(Cyclotetradec-6-yndiyl)-2-methoxy-4,2',6'-tris(4-methoxybenzyloxy)biphenyl
SpectraBase Compound ID BRAyZ3a6rqq
InChI InChI=1S/C51H58O7/c1-52-43-25-19-38(20-26-43)35-56-46-33-42-18-16-14-12-10-8-6-5-7-9-11-13-15-17-41-31-48(57-36-39-21-27-44(53-2)28-22-39)51(50(42)47(34-46)55-4)49(32-41)58-37-40-23-29-45(54-3)30-24-40/h19-34H,5,7,9-18,35-37H2,1-4H3
InChIKey PGGUNYZGJCIZMS-UHFFFAOYSA-N
Mol Weight 783.0 g/mol
Molecular Formula C51H58O7
Exact Mass 782.418254 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JmaC884Uvl8
Name 6,4'-(Cyclotetradec-6-yndiyl)-2-methoxy-4,2',6'-tris(4-methoxybenzyloxy)biphenyl
Alternate Name(s) 3-Methoxy-5,24,25-tris[(4-methoxybenzyl)oxy]tricyclo[20.2.2.0(2,7)]hexacosa-1(24),2,4,6,22,25-hexaen-13-yne
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Formula C51H58O7
InChI InChI=1S/C51H58O7/c1-52-43-25-19-38(20-26-43)35-56-46-33-42-18-16-14-12-10-8-6-5-7-9-11-13-15-17-41-31-48(57-36-39-21-27-44(53-2)28-22-39)51(50(42)47(34-46)55-4)49(32-41)58-37-40-23-29-45(54-3)30-24-40/h19-34H,5,7,9-18,35-37H2,1-4H3
InChIKey PGGUNYZGJCIZMS-UHFFFAOYSA-N
Molecular Weight 783.018 g/mol
SMILES c12-c3c(cc(cc3CCCCCC#CCCCCCCCc(cc1OCc1ccc(cc1)OC)cc2OCc1ccc(cc1)OC)OCc1ccc(cc1)OC)OC
SPLASH splash10-00di-0900001000-b1c49317f00710346839
Source of Spectrum QE-8-1869-38
Wiley ID 1557566