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1-[2'-Hydroxy-4'-methoxy-5'-(hydroxymethyl)phenyl]-(E)-4-hexen-1-one
SpectraBase Compound ID JL6CbRrKj3D
InChI InChI=1S/C14H18O4/c1-3-4-5-6-12(16)11-7-10(9-15)14(18-2)8-13(11)17/h3-4,7-8,15,17H,5-6,9H2,1-2H3/b4-3+
InChIKey ZIDISXJXSVFYAG-ONEGZZNKSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ecxm9x9Sz50
Name 1-[2'-Hydroxy-4'-methoxy-5'-(hydroxymethyl)phenyl]-(E)-4-hexen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-3-4-5-6-12(16)11-7-10(9-15)14(18-2)8-13(11)17/h3-4,7-8,15,17H,5-6,9H2,1-2H3/b4-3+
InChIKey ZIDISXJXSVFYAG-ONEGZZNKSA-N
Molecular Weight 250.294 g/mol
SMILES OCc1cc(c(cc1OC)O)C(=O)CC\C=C\C
SPLASH splash10-001i-8930000000-ef40a7c1f752e510f06c
Source of Spectrum G4-69-116-5
Synonyms (E)-1-[2-hydroxy-5-(hydroxymethyl)-4-methoxyphenyl]-4-hexen-1-one (E)-1-[2-hydroxy-5-(hydroxymethyl)-4-methoxyphenyl]hex-4-en-1-one (E)-1-[2-hydroxy-5-(hydroxymethyl)-4-methoxy-phenyl]hex-4-en-1-one (E)-1-[5-(hydroxymethyl)-4-methoxy-2-oxidanyl-phenyl]hex-4-en-1-one
Wiley ID 1694622