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2-Propen-1-one, 1-[2,4-bis(phenylmethoxy)phenyl]-3-[4-methoxy-2-(phenylmethoxy)phenyl]-, (E)-
SpectraBase Compound ID 9tPQpgcwhNa
InChI InChI=1S/C37H32O5/c1-39-32-19-17-31(36(23-32)41-26-29-13-7-3-8-14-29)18-22-35(38)34-21-20-33(40-25-28-11-5-2-6-12-28)24-37(34)42-27-30-15-9-4-10-16-30/h2-24H,25-27H2,1H3/b22-18+
InChIKey FOEMUJHKBQXFCB-RELWKKBWSA-N
Mol Weight 556.7 g/mol
Molecular Formula C37H32O5
Exact Mass 556.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HTWvvQVAXIV
Name 2-Propen-1-one, 1-[2,4-bis(phenylmethoxy)phenyl]-3-[4-methoxy-2-(phenylmethoxy)phenyl]-, (E)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 556.224974125 u
Formula C37H32O5
InChI InChI=1S/C37H32O5/c1-39-32-19-17-31(36(23-32)41-26-29-13-7-3-8-14-29)18-22-35(38)34-21-20-33(40-25-28-11-5-2-6-12-28)24-37(34)42-27-30-15-9-4-10-16-30/h2-24H,25-27H2,1H3/b22-18+
InChIKey FOEMUJHKBQXFCB-RELWKKBWSA-N
Molecular Weight 556.658 g/mol
SMILES C=1(C(=CC(=CC1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)C(\C=C\C=1C(=CC(=CC1)OC)OCC=1C=CC=CC1)=O