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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HCCZpdIijvo
Name 1-(2'-HYDROXY-4'-METHOXY-5'-HYDROXYMETHYLPHENYL)-E-4-HEXEN-1-ONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author R.F.REATEGUI,D.T.WICKLOW,J.B.GLOER
Literature Reference Citation J.NAT.PROD.,69,113(2006)
Literature Reference DOI 10.1021/np0504199
Molecular Weight 250.295 g/mol
Solvent CDCl3
Source File Reference UWMZ18007