For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
6-(3',4'-Methylenedioxyphenyl)-E-5-hexenal
SpectraBase Compound ID IsNOgWUGgjO
InChI InChI=1S/C13H14O3/c14-8-4-2-1-3-5-11-6-7-12-13(9-11)16-10-15-12/h3,5-9H,1-2,4,10H2/b5-3+
InChIKey MFOCPHITVUJUQG-HWKANZROSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1efy3KsXBY
Name 6-(3',4'-Methylenedioxyphenyl)-E-5-hexenal
Alternate Name(s) (5E)-6-(1,3-benzodioxol-5-yl)-5-hexenal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O3
InChI InChI=1S/C13H14O3/c14-8-4-2-1-3-5-11-6-7-12-13(9-11)16-10-15-12/h3,5-9H,1-2,4,10H2/b5-3+
InChIKey MFOCPHITVUJUQG-HWKANZROSA-N
Molecular Weight 218.252 g/mol
SMILES c12c(OCO2)ccc(\C=C\CCCC=O)c1
SPLASH splash10-01c0-0940000000-e7ed03aecdc56f1b8c02
Source of Spectrum F-50-11120-0
Wiley ID 789546