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(E)-3-[4-[1-(3,4-Dimethoxyphenyl)propan-2-yloxy]-3-methoxyphenyl]prop-2-enal
SpectraBase Compound ID H5DNQGk0mN
InChI InChI=1S/C21H24O5/c1-15(12-17-8-9-18(23-2)20(14-17)24-3)26-19-10-7-16(6-5-11-22)13-21(19)25-4/h5-11,13-15H,12H2,1-4H3/b6-5+
InChIKey PUDXYWKCEYLTMQ-AATRIKPKSA-N
Mol Weight 356.42 g/mol
Molecular Formula C21H24O5
Exact Mass 356.162374 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JVkcsAa93ye
Name (E)-3-[4-[1-(3,4-Dimethoxyphenyl)propan-2-yloxy]-3-methoxyphenyl]prop-2-enal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.162373868 u
Formula C21H24O5
InChI InChI=1S/C21H24O5/c1-15(12-17-8-9-18(23-2)20(14-17)24-3)26-19-10-7-16(6-5-11-22)13-21(19)25-4/h5-11,13-15H,12H2,1-4H3/b6-5+
InChIKey PUDXYWKCEYLTMQ-AATRIKPKSA-N
Molecular Weight 356.418 g/mol
SMILES C(\C=C\C1=CC(=C(C=C1)OC(CC=1C=CC(=C(C1)OC)OC)C)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958846