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(2E,4E)-7-(1,3-benzodioxol-5-yl)hepta-2,4-dienoic acid ethyl ester
SpectraBase Compound ID Ce7b5UbFGw
InChI InChI=1S/C16H18O4/c1-2-18-16(17)8-6-4-3-5-7-13-9-10-14-15(11-13)20-12-19-14/h3-4,6,8-11H,2,5,7,12H2,1H3/b4-3+,8-6+
InChIKey KURFUPJFILMMBH-PBOULFJWSA-N
Mol Weight 274.32 g/mol
Molecular Formula C16H18O4
Exact Mass 274.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gky1DVxGsn
Name (2E,4E)-7-(1,3-benzodioxol-5-yl)hepta-2,4-dienoic acid ethyl ester
Alternate Name(s) Ethyl (2E,4E)-7-(1,3-benzodioxol-5-yl)hepta-2,4-dienoate
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Formula C16H18O4
InChI InChI=1S/C16H18O4/c1-2-18-16(17)8-6-4-3-5-7-13-9-10-14-15(11-13)20-12-19-14/h3-4,6,8-11H,2,5,7,12H2,1H3/b4-3+,8-6+
InChIKey KURFUPJFILMMBH-PBOULFJWSA-N
Molecular Weight 274.316 g/mol
SMILES c12c(OCO2)ccc(c1)CC\C=C\C=C\C(=O)OCC
SPLASH splash10-000i-0900000000-ac5f2c82e0197962125b
Source of Spectrum SK-31-121-7
Wiley ID 881735