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(E)-4-(4-hydroxy-3-methoxy-phenyl)-2-vanillyl-but-3-enoic acid methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(E)-4-(4-hydroxy-3-methoxy-phenyl)-2-vanillyl-but-3-enoic acid methyl ester
SpectraBase Compound ID AXRLOYZwAvb
InChI InChI=1S/C20H22O6/c1-24-18-11-13(5-8-16(18)21)4-7-15(20(23)26-3)10-14-6-9-17(22)19(12-14)25-2/h4-9,11-12,15,21-22H,10H2,1-3H3/b7-4+
InChIKey JQLSEYJXODFAEJ-QPJJXVBHSA-N
Mol Weight 358.39 g/mol
Molecular Formula C20H22O6
Exact Mass 358.141638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F3lAxl9xMnh
Name (E)-4-(4-Hydroxy-3-methoxy-phenyl)-2-vanillyl-but-3-enoic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.141638422 u
Formula C20H22O6
InChI InChI=1S/C20H22O6/c1-24-18-11-13(5-8-16(18)21)4-7-15(20(23)26-3)10-14-6-9-17(22)19(12-14)25-2/h4-9,11-12,15,21-22H,10H2,1-3H3/b7-4+
InChIKey JQLSEYJXODFAEJ-QPJJXVBHSA-N
Molecular Weight 358.390 g/mol
SMILES C(C(\C=C\C=1C=C(C(=CC1)O)OC)CC=1C=C(C(=CC1)O)OC)(=O)OC