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(E)-1-(1,3-benzodioxol-5-yl)-3-(2,3-dimethoxyphenyl)-2-propen-1-one

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

(E)-1-(1,3-benzodioxol-5-yl)-3-(2,3-dimethoxyphenyl)-2-propen-1-one
SpectraBase Compound ID G7AFavIFdNS
InChI InChI=1S/C18H16O5/c1-20-16-5-3-4-12(18(16)21-2)6-8-14(19)13-7-9-15-17(10-13)23-11-22-15/h3-10H,11H2,1-2H3/b8-6+
InChIKey FIAJEAZUWVHGJX-SOFGYWHQSA-N
Mol Weight 312.32 g/mol
Molecular Formula C18H16O5
Exact Mass 312.099774 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DxVl4IvxBSW
Name (E)-1-(1,3-Benzodioxol-5-yl)-3-(2,3-dimethoxyphenyl)-2-propen-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.099773610 u
Formula C18H16O5
InChI InChI=1S/C18H16O5/c1-20-16-5-3-4-12(18(16)21-2)6-8-14(19)13-7-9-15-17(10-13)23-11-22-15/h3-10H,11H2,1-2H3/b8-6+
InChIKey FIAJEAZUWVHGJX-SOFGYWHQSA-N
SMILES C1(\C=C\C(C=2C=C3OCOC3=CC2)=O)=C(C(OC)=CC=C1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.927049