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Polyester based on phenolphthalein, 4-hydroxybenzoic and 2,6-naphthalenedicarboxylic acids
SpectraBase Compound ID J85AyRNuGmY
InChI InChI=1S/C48H32O10/c1-29(49)30-11-19-39(20-12-30)56-45(51)34-9-7-33-28-35(10-8-32(33)27-34)46(52)57-40-21-13-31(14-22-40)44(50)55-41-25-17-37(18-26-41)48(36-15-23-38(54-2)24-16-36)43-6-4-3-5-42(43)47(53)58-48/h3-28H,1-2H3
InChIKey YBWLFLWDEWODJI-UHFFFAOYSA-N
Mol Weight 768.8 g/mol
Molecular Formula C48H32O10
Exact Mass 768.199547 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JfwpfebPqGJ
Name Polyester based on phenolphthalein, 4-hydroxybenzoic and 2,6-naphthalenedicarboxylic acids
Comments Computed using HOSE algorithm
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Exact Mass 768.199547220 u
Formula C48H32O10
InChI InChI=1S/C48H32O10/c1-29(49)30-11-19-39(20-12-30)56-45(51)34-9-7-33-28-35(10-8-32(33)27-34)46(52)57-40-21-13-31(14-22-40)44(50)55-41-25-17-37(18-26-41)48(36-15-23-38(54-2)24-16-36)43-6-4-3-5-42(43)47(53)58-48/h3-28H,1-2H3
InChIKey YBWLFLWDEWODJI-UHFFFAOYSA-N
Molecular Weight 768.774 g/mol
Nominal Mass 768 u
SMILES C=1C(=CC=C(C1)OC(=O)C=1C=CC=2C=C(C(=O)OC=3C=CC(=CC3)C(OC3=CC=C(C=C3)C3(C4=CC=CC=C4C(O3)=O)C3=CC=C(C=C3)OC)=O)C=CC2C1)C(=O)C