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1,4-Benzenedicarboxylic acid, 2,6-bis(phenylmethoxy)-, bis(phenylmethyl) ester

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1,4-Benzenedicarboxylic acid, 2,6-bis(phenylmethoxy)-, bis(phenylmethyl) ester
SpectraBase Compound ID C0SlsQ53M68
InChI InChI=1S/C36H30O6/c37-35(41-25-29-17-9-3-10-18-29)31-21-32(39-23-27-13-5-1-6-14-27)34(36(38)42-26-30-19-11-4-12-20-30)33(22-31)40-24-28-15-7-2-8-16-28/h1-22H,23-26H2
InChIKey LMBGZEGIEYJZPY-UHFFFAOYSA-N
Mol Weight 558.6 g/mol
Molecular Formula C36H30O6
Exact Mass 558.204239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8AolEsIwHEW
Name 1,4-Benzenedicarboxylic acid, 2,6-bis(phenylmethoxy)-, bis(phenylmethyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 558.204238680 u
Formula C36H30O6
InChI InChI=1S/C36H30O6/c37-35(41-25-29-17-9-3-10-18-29)31-21-32(39-23-27-13-5-1-6-14-27)34(36(38)42-26-30-19-11-4-12-20-30)33(22-31)40-24-28-15-7-2-8-16-28/h1-22H,23-26H2
InChIKey LMBGZEGIEYJZPY-UHFFFAOYSA-N
Molecular Weight 558.630 g/mol
SMILES C1(=CC=CC=C1)COC(C1=C(C=C(C(=O)OCC2=CC=CC=C2)C=C1OCC1=CC=CC=C1)OCC1=CC=CC=C1)=O