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Poly(2,5-dihexadecylhydroquinone-2,5-dihexadecyloxyterephthalate)
SpectraBase Compound ID Kvo44O6xpTQ
InChI InChI=1S/C80H142O8/c1-7-11-15-19-23-27-31-35-39-43-47-51-55-59-63-84-74-68-73(75(67-72(74)71(5)81)85-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-2)80(82)88-79-70-77(86-65-61-57-53-49-45-41-37-33-29-25-21-17-13-9-3)76(83-6)69-78(79)87-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-4/h67-70H,7-66H2,1-6H3
InChIKey AFWFFPIFRLVGPQ-UHFFFAOYSA-N
Mol Weight 1232.0 g/mol
Molecular Formula C80H142O8
Exact Mass 1231.070472 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3F1QmO9FSik
Name Poly(2,5-dihexadecylhydroquinone-2,5-dihexadecyloxyterephthalate)
Comments Computed using HOSE algorithm
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Exact Mass 1231.070471524 u
Formula C80H142O8
InChI InChI=1S/C80H142O8/c1-7-11-15-19-23-27-31-35-39-43-47-51-55-59-63-84-74-68-73(75(67-72(74)71(5)81)85-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-2)80(82)88-79-70-77(86-65-61-57-53-49-45-41-37-33-29-25-21-17-13-9-3)76(83-6)69-78(79)87-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-4/h67-70H,7-66H2,1-6H3
InChIKey AFWFFPIFRLVGPQ-UHFFFAOYSA-N
Molecular Weight 1232.008 g/mol
Nominal Mass 1230 u
SMILES C(OC1=CC(=C(C=C1OCCCCCCCCCCCCCCCC)OC)OCCCCCCCCCCCCCCCC)(C1=CC(=C(C=C1OCCCCCCCCCCCCCCCC)C(C)=O)OCCCCCCCCCCCCCCCC)=O