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

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

(E)-1,3-bis(1,3-benzodioxol-5-yl)-2-propen-1-one
SpectraBase Compound ID 78yLOBCFOnM
InChI InChI=1S/C17H12O5/c18-13(12-3-6-15-17(8-12)22-10-20-15)4-1-11-2-5-14-16(7-11)21-9-19-14/h1-8H,9-10H2/b4-1+
InChIKey BJVBIPGXQAUWBA-DAFODLJHSA-N
Mol Weight 296.28 g/mol
Molecular Formula C17H12O5
Exact Mass 296.068473 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7VdODfRIjI9
Name (E)-1,3-bis(1,3-Benzodioxol-5-yl)-2-propen-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.068473481 u
Formula C17H12O5
InChI InChI=1S/C17H12O5/c18-13(12-3-6-15-17(8-12)22-10-20-15)4-1-11-2-5-14-16(7-11)21-9-19-14/h1-8H,9-10H2/b4-1+
InChIKey BJVBIPGXQAUWBA-DAFODLJHSA-N
SMILES C(\C=C\C=1C=C2OCOC2=CC1)(C=1C=C2OCOC2=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911126