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4H-1-Benzopyran-4-one, 3-[2,4-bis(phenylmethoxy)phenyl]-7-(phenylmethoxy)-
SpectraBase Compound ID Gb6ALa679he
InChI InChI=1S/C36H28O5/c37-36-32-19-17-30(39-23-27-12-6-2-7-13-27)21-35(32)41-25-33(36)31-18-16-29(38-22-26-10-4-1-5-11-26)20-34(31)40-24-28-14-8-3-9-15-28/h1-21,25H,22-24H2
InChIKey UEXOBRGNLZPACB-UHFFFAOYSA-N
Mol Weight 540.6 g/mol
Molecular Formula C36H28O5
Exact Mass 540.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3K4uXB3LWrT
Name 4H-1-Benzopyran-4-one, 3-[2,4-bis(phenylmethoxy)phenyl]-7-(phenylmethoxy)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 540.193673997 u
Formula C36H28O5
InChI InChI=1S/C36H28O5/c37-36-32-19-17-30(39-23-27-12-6-2-7-13-27)21-35(32)41-25-33(36)31-18-16-29(38-22-26-10-4-1-5-11-26)20-34(31)40-24-28-14-8-3-9-15-28/h1-21,25H,22-24H2
InChIKey UEXOBRGNLZPACB-UHFFFAOYSA-N
Molecular Weight 540.615 g/mol
SMILES C=1(C(C=2C=CC(=CC2OC1)OCC1=CC=CC=C1)=O)C=1C(=CC(=CC1)OCC1=CC=CC=C1)OCC=1C=CC=CC1