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7-(3',4'-Methylenedioxyphenyl)-6-E-heptenoic acid

View entire compound with spectra: 2 MS (GC)

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 2GY9x42A7M
Name 7-(3',4'-Methylenedioxyphenyl)-6-E-heptenoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 splash10-000t-0960000000-4eef01446287c177b569
Source of Spectrum F-50-11121-10
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 789542