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Poly[3,7-dihydroxy-5-(p-chlorophenyl)-1,9-dioxa-5-azanonamethylene-1,4-phenylene-isopropylidene-1,4-phenylene]
SpectraBase Compound ID Jz48A4UfX0T
InChI InChI=1S/C29H36ClNO4/c1-21-5-7-22(8-6-21)29(2,3)23-9-15-28(16-10-23)35-20-27(33)18-31(17-26(32)19-34-4)25-13-11-24(30)12-14-25/h5-16,26-27,32-33H,17-20H2,1-4H3
InChIKey ICLNPYMWKRJEPS-UHFFFAOYSA-N
Mol Weight 498.1 g/mol
Molecular Formula C29H36ClNO4
Exact Mass 497.233286 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9FMeLfoNcx5
Name Poly[3,7-dihydroxy-5-(p-chlorophenyl)-1,9-dioxa-5-azanonamethylene-1,4-phenylene-isopropylidene-1,4-phenylene]
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 497.233286339 u
Formula C29H36ClNO4
InChI InChI=1S/C29H36ClNO4/c1-21-5-7-22(8-6-21)29(2,3)23-9-15-28(16-10-23)35-20-27(33)18-31(17-26(32)19-34-4)25-13-11-24(30)12-14-25/h5-16,26-27,32-33H,17-20H2,1-4H3
InChIKey ICLNPYMWKRJEPS-UHFFFAOYSA-N
Molecular Weight 498.063 g/mol
Nominal Mass 497 u
SMILES C(OC)C(O)CN(C1=CC=C(C=C1)Cl)CC(O)COC1=CC=C(C=C1)C(C)(C)C=1C=CC(=CC1)C