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3-[3',4'-(Methylenedioxy)phenyl]-2-penten-1-oic acid
SpectraBase Compound ID Frw6FRIpA8Q
InChI InChI=1S/C12H12O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h2,4-7H,1,3,8H2,(H,13,14)/b4-2+
InChIKey XWNYWHDLGAOMIV-DUXPYHPUSA-N
Mol Weight 220.22 g/mol
Molecular Formula C12H12O4
Exact Mass 220.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G3RqwsrMqsR
Name 3-[3',4'-(Methylenedioxy)phenyl]-2-penten-1-oic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O4
InChI InChI=1S/C12H12O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h2,4-7H,1,3,8H2,(H,13,14)/b4-2+
InChIKey XWNYWHDLGAOMIV-DUXPYHPUSA-N
Molecular Weight 220.224 g/mol
SMILES OC(\C=C\CCc1cc2c(OCO2)cc1)=O
SPLASH splash10-000i-0910000000-ca9efe324756624009f2
Source of Spectrum SK-29-271-5
Synonyms (E)-5-Benzo[1,3]dioxol-5-yl-pent-2-enoic acid (E)-5-(1,3-benzodioxol-5-yl)-2-pentenoic acid
Wiley ID 880360