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bis{[4'-(Tetradecyloxy)-phenoxycarbonyl]phenyl} Tricyclo[8.2.2.2(4,7)]hexadeca-4,6,10,12,13,15-hexaene-5,15-dicarboxylate
SpectraBase Compound ID 8BOy8slpkDr
InChI InChI=1S/C72H88O10/c1-3-5-7-9-11-13-15-17-19-21-23-29-51-77-59-43-47-61(48-44-59)79-69(73)63-31-25-27-33-67(63)81-71(75)65-53-58-42-40-56-37-35-55(36-38-56)39-41-57(65)54-66(58)72(76)82-68-34-28-26-32-64(68)70(74)80-62-49-45-60(46-50-62)78-52-30-24-22-20-18-16-14-12-10-8-6-4-2/h25-28,31-38,43-50,53-54H,3-24,29-30,39-42,51-52H2,1-2H3
InChIKey VVQNRXAJWUFLMJ-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 I3qohygQ3XC
Name bis{[4'-(Tetradecyloxy)-phenoxycarbonyl]phenyl} Tricyclo[8.2.2.2(4,7)]hexadeca-4,6,10,12,13,15-hexaene-5,15-dicarboxylate
Alternate Name(s) bis{[4'-(Tetradecyloxy)-benzoyl]oxyphenyl} Tricyclo[8.2.2.2(4,7)]hexadeca-4,6,10,12,13,15-hexaene-5,15-dicarboxylate 5,15-bis({2-[4-(tetradecyloxy)phenoxycarbonyl]phenyl}) tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaene-5,15-dicarboxylate
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Formula C72H88O10
InChI InChI=1S/C72H88O10/c1-3-5-7-9-11-13-15-17-19-21-23-29-51-77-59-43-47-61(48-44-59)79-69(73)63-31-25-27-33-67(63)81-71(75)65-53-58-42-40-56-37-35-55(36-38-56)39-41-57(65)54-66(58)72(76)82-68-34-28-26-32-64(68)70(74)80-62-49-45-60(46-50-62)78-52-30-24-22-20-18-16-14-12-10-8-6-4-2/h25-28,31-38,43-50,53-54H,3-24,29-30,39-42,51-52H2,1-2H3
InChIKey VVQNRXAJWUFLMJ-UHFFFAOYSA-N
Molecular Weight 1113.486 g/mol
SMILES C(c1c(OC(c2c3cc(C(Oc4c(C(Oc5ccc(cc5)OCCCCCCCCCCCCCC)=O)cccc4)=O)c(c2)CCc2ccc(CC3)cc2)=O)cccc1)(Oc1ccc(cc1)OCCCCCCCCCCCCCC)=O
SPLASH splash10-00di-0900040000-462a69826bd86068bf1b
Source of Spectrum H-85-440-0
Wiley ID 1523972