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6-(Benzo[D][1,3]dioxol-5-yl)hex-3-en-2-one

View entire compound with spectra: 1 NMR, and 1 FTIR

6-(Benzo[D][1,3]dioxol-5-yl)hex-3-en-2-one
SpectraBase Compound ID BKGQmDRLAxq
InChI InChI=1S/C13H14O3/c1-10(14)4-2-3-5-11-6-7-12-13(8-11)16-9-15-12/h2,4,6-8H,3,5,9H2,1H3/b4-2+
InChIKey WBTCWBZQKZZDOV-DUXPYHPUSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BwFrXec2EkH
Name 6-(Benzo[D][1,3]dioxol-5-yl)hex-3-en-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.094294308 u
Formula C13H14O3
InChI InChI=1S/C13H14O3/c1-10(14)4-2-3-5-11-6-7-12-13(8-11)16-9-15-12/h2,4,6-8H,3,5,9H2,1H3/b4-2+
InChIKey WBTCWBZQKZZDOV-DUXPYHPUSA-N
Molecular Weight 218.252 g/mol
SMILES CC(\C=C\CCC1=CC2=C(OCO2)C=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96451