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3-[5,5-(Ethylenedioxy)hexyl]benzaldehyde

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

3-[5,5-(Ethylenedioxy)hexyl]benzaldehyde
SpectraBase Compound ID HzQkU32hZZ
InChI InChI=1S/C15H20O3/c1-15(17-9-10-18-15)8-3-2-5-13-6-4-7-14(11-13)12-16/h4,6-7,11-12H,2-3,5,8-10H2,1H3
InChIKey DLEQRGLSBOCDOY-UHFFFAOYSA-N
Mol Weight 248.32 g/mol
Molecular Formula C15H20O3
Exact Mass 248.141245 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GMVSgOb0egc
Name 3-[5,5-(Ethylenedioxy)hexyl]benzaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.141244501 u
Formula C15H20O3
InChI InChI=1S/C15H20O3/c1-15(17-9-10-18-15)8-3-2-5-13-6-4-7-14(11-13)12-16/h4,6-7,11-12H,2-3,5,8-10H2,1H3
InChIKey DLEQRGLSBOCDOY-UHFFFAOYSA-N
Molecular Weight 248.322 g/mol
SMILES C1(OCCO1)(CCCCC1=CC(C=O)=CC=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.872005