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(E)-1-(1,3-benzodioxol-5-yl)-3-(2,5-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-(2,5-dimethoxyphenyl)-2-propen-1-one
SpectraBase Compound ID HKCo5tAMIEB
InChI InChI=1S/C18H16O5/c1-20-14-5-8-16(21-2)13(9-14)3-6-15(19)12-4-7-17-18(10-12)23-11-22-17/h3-10H,11H2,1-2H3/b6-3+
InChIKey GHSGVKQCGCFKTI-ZZXKWVIFSA-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 FsYL2GmmXeh
Name (E)-1-(1,3-Benzodioxol-5-yl)-3-(2,5-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/c1-20-14-5-8-16(21-2)13(9-14)3-6-15(19)12-4-7-17-18(10-12)23-11-22-17/h3-10H,11H2,1-2H3/b6-3+
InChIKey GHSGVKQCGCFKTI-ZZXKWVIFSA-N
SMILES C(\C=C\C1=C(C=CC(=C1)OC)OC)(C=1C=C2OCOC2=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936661