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(E)-3-[4-hydroxy-3-[(E)-3-ketobut-1-enyl]phenyl]acrolein
SpectraBase Compound ID GnEyeSOilIW
InChI InChI=1S/C13H12O3/c1-10(15)4-6-12-9-11(3-2-8-14)5-7-13(12)16/h2-9,16H,1H3/b3-2+,6-4+
InChIKey YGDHGTJERWVRJC-WJPDYIDTSA-N
Mol Weight 216.24 g/mol
Molecular Formula C13H12O3
Exact Mass 216.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ANjalyB37db
Name (E)-3-[4-hydroxy-3-[(E)-3-ketobut-1-enyl]phenyl]acrolein
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O3
InChI InChI=1S/C13H12O3/c1-10(15)4-6-12-9-11(3-2-8-14)5-7-13(12)16/h2-9,16H,1H3/b3-2+,6-4+
InChIKey YGDHGTJERWVRJC-WJPDYIDTSA-N
Molecular Weight 216.236 g/mol
SMILES Oc1c(\C=C\C(=O)C)cc(\C=C\C=O)cc1
SPLASH splash10-014l-4920000000-952a48a99f3a8b813a8c
Source of Spectrum G4-63-1347-6
Synonyms (E)-3-[4-hydroxy-3-[(E)-3-oxobut-1-enyl]phenyl]-2-propenal (E)-3-[4-hydroxy-3-[(E)-3-oxobut-1-enyl]phenyl]prop-2-enal (E)-3-[4-oxidanyl-3-[(E)-3-oxidanylidenebut-1-enyl]phenyl]prop-2-enal
Wiley ID 1608649