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bis[4'-[(4"-Tetradecyloxy)-phenoxycarbonyl]phenyl Tricyclo[8.2.2.2(4,7)]hexadeca-4,6,10,12,13,15-hexaene-5,11-dicarboxylate
SpectraBase Compound ID 44p65A2UoFO
InChI InChI=1S/C72H88O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-51-77-61-43-47-65(48-44-61)79-69(73)59-35-39-63(40-36-59)81-71(75)67-53-55-27-31-57(67)33-29-56-28-32-58(34-30-55)68(54-56)72(76)82-64-41-37-60(38-42-64)70(74)80-66-49-45-62(46-50-66)78-52-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-28,31-32,35-50,53-54H,3-26,29-30,33-34,51-52H2,1-2H3
InChIKey CSNZVUNTXUSSJO-UHFFFAOYSA-N
Mol Weight 1113.5 g/mol
Molecular Formula C72H88O10
Exact Mass 1112.637749 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6GYULYgMkqt
Name bis[4'-[(4"-Tetradecyloxy)-phenoxycarbonyl]phenyl Tricyclo[8.2.2.2(4,7)]hexadeca-4,6,10,12,13,15-hexaene-5,11-dicarboxylate
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Formula C72H88O10
InChI InChI=1S/C72H88O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-51-77-61-43-47-65(48-44-61)79-69(73)59-35-39-63(40-36-59)81-71(75)67-53-55-27-31-57(67)33-29-56-28-32-58(34-30-55)68(54-56)72(76)82-64-41-37-60(38-42-64)70(74)80-66-49-45-62(46-50-66)78-52-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-28,31-32,35-50,53-54H,3-26,29-30,33-34,51-52H2,1-2H3
InChIKey CSNZVUNTXUSSJO-UHFFFAOYSA-N
Molecular Weight 1113.486 g/mol
SMILES C(c1c2ccc(c1)CCc1c(C(Oc3ccc(C(Oc4ccc(cc4)OCCCCCCCCCCCCCC)=O)cc3)=O)cc(CC2)cc1)(Oc1ccc(C(Oc2ccc(cc2)OCCCCCCCCCCCCCC)=O)cc1)=O
SPLASH splash10-0079-0700009000-d67763f99721187e1f08
Source of Spectrum H-85-440-0
Wiley ID 1523975