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Methyl 3-{4-[(E)-2-(2-benzyloxy-3,6-dimethoxyphenyl)-1-ethenylphenoxy}-4-methoxybenzoate
SpectraBase Compound ID 4xtRbtMQ9sU
InChI InChI=1S/C32H30O7/c1-34-27-18-19-29(36-3)31(38-21-23-8-6-5-7-9-23)26(27)16-12-22-10-14-25(15-11-22)39-30-20-24(32(33)37-4)13-17-28(30)35-2/h5-20H,21H2,1-4H3/b16-12+
InChIKey MXXPGRAWQAWPLZ-FOWTUZBSSA-N
Mol Weight 526.6 g/mol
Molecular Formula C32H30O7
Exact Mass 526.199153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dx84hXxCU0e
Name Methyl 3-{4-[(E)-2-(2-benzyloxy-3,6-dimethoxyphenyl)-1-ethenylphenoxy}-4-methoxybenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 526.199153299 u
Formula C32H30O7
InChI InChI=1S/C32H30O7/c1-34-27-18-19-29(36-3)31(38-21-23-8-6-5-7-9-23)26(27)16-12-22-10-14-25(15-11-22)39-30-20-24(32(33)37-4)13-17-28(30)35-2/h5-20H,21H2,1-4H3/b16-12+
InChIKey MXXPGRAWQAWPLZ-FOWTUZBSSA-N
Molecular Weight 526.585 g/mol
SMILES C=1(C(OCC2=CC=CC=C2)=C(OC)C=CC1OC)\C=C\C1=CC=C(OC2=CC(C(=O)OC)=CC=C2OC)C=C1