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Poly(phenolphthalein terephthalate)
SpectraBase Compound ID 2Chya9IMPIi
InChI InChI=1S/C30H22O6/c1-19(31)20-7-9-21(10-8-20)28(32)35-25-17-13-23(14-18-25)30(22-11-15-24(34-2)16-12-22)27-6-4-3-5-26(27)29(33)36-30/h3-18H,1-2H3
InChIKey PDTCSSJGGJRDQU-UHFFFAOYSA-N
Mol Weight 478.5 g/mol
Molecular Formula C30H22O6
Exact Mass 478.141638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DaZo3NYp3xq
Name Poly(phenolphthalein terephthalate)
Comments Computed using HOSE algorithm
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Exact Mass 478.141638422 u
Formula C30H22O6
InChI InChI=1S/C30H22O6/c1-19(31)20-7-9-21(10-8-20)28(32)35-25-17-13-23(14-18-25)30(22-11-15-24(34-2)16-12-22)27-6-4-3-5-26(27)29(33)36-30/h3-18H,1-2H3
InChIKey PDTCSSJGGJRDQU-UHFFFAOYSA-N
Molecular Weight 478.500 g/mol
Nominal Mass 478 u
SMILES COC1=CC=C(C=C1)C1(C=2C=CC(=CC2)OC(=O)C2=CC=C(C=C2)C(=O)C)C2=C(C=CC=C2)C(O1)=O