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7-(3',4'-Methylenedioxyphenyl)-6-E-heptenoic acid
SpectraBase Compound ID E63kiybaTkj
InChI InChI=1S/C14H16O4/c15-14(16)6-4-2-1-3-5-11-7-8-12-13(9-11)18-10-17-12/h3,5,7-9H,1-2,4,6,10H2,(H,15,16)/b5-3+
InChIKey RNNKGYSBTAQFFE-HWKANZROSA-N
Mol Weight 248.28 g/mol
Molecular Formula C14H16O4
Exact Mass 248.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5TDrqicYi
Name 7-(3',4'-Methylenedioxyphenyl)-6-E-heptenoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C14H16O4
InChI InChI=1S/C14H16O4/c15-14(16)6-4-2-1-3-5-11-7-8-12-13(9-11)18-10-17-12/h3,5,7-9H,1-2,4,6,10H2,(H,15,16)/b5-3+
InChIKey RNNKGYSBTAQFFE-HWKANZROSA-N
Molecular Weight 248.278 g/mol
SMILES OC(CCCC\C=C\c1cc2c(OCO2)cc1)=O
SPLASH splash10-001j-0980000000-e969d43f05426887df84
Source of Spectrum E1-45-692-0
Synonyms (6E)-7-(3',4'-Methylenedioxyphenyl)-6-heptenoic acid (6E)-7-(1,3-benzodioxol-5-yl)-6-heptenoic acid (E)-7-(1,3-benzodioxol-5-yl)-6-heptenoic acid
Wiley ID 1553744