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(E)-9-(1,3-benzodioxol-5-yl)-1-(2-benzoxy-6-hydroxy-phenyl)non-2-en-1-one
SpectraBase Compound ID JFfFQqXlVeQ
InChI InChI=1S/C29H30O5/c30-24(29-25(31)15-10-16-27(29)32-20-23-12-7-5-8-13-23)14-9-4-2-1-3-6-11-22-17-18-26-28(19-22)34-21-33-26/h5,7-10,12-19,31H,1-4,6,11,20-21H2/b14-9+
InChIKey JISRXFLCOCNFCC-NTEUORMPSA-N
Mol Weight 458.55 g/mol
Molecular Formula C29H30O5
Exact Mass 458.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BYcGBjwOobD
Name (E)-9-(1,3-benzodioxol-5-yl)-1-(2-benzoxy-6-hydroxy-phenyl)non-2-en-1-one
Alternate Name(s) (E)-9-(1,3-benzodioxol-5-yl)-1-(2-benzyloxy-6-hydroxy-phenyl)non-2-en-1-one (E)-9-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-6-phenylmethoxyphenyl)-2-nonen-1-one (E)-9-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-6-phenylmethoxyphenyl)non-2-en-1-one (E)-9-(1,3-benzodioxol-5-yl)-1-(2-oxidanyl-6-phenylmethoxy-phenyl)non-2-en-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C29H30O5
InChI InChI=1S/C29H30O5/c30-24(29-25(31)15-10-16-27(29)32-20-23-12-7-5-8-13-23)14-9-4-2-1-3-6-11-22-17-18-26-28(19-22)34-21-33-26/h5,7-10,12-19,31H,1-4,6,11,20-21H2/b14-9+
InChIKey JISRXFLCOCNFCC-NTEUORMPSA-N
Molecular Weight 458.554 g/mol
SMILES Oc1c(C(\C=C\CCCCCCc2cc3c(cc2)OCO3)=O)c(ccc1)OCc1ccccc1
SPLASH splash10-0006-9000000000-666a839102dd97458c9a
Source of Spectrum E1-39-22-17
Wiley ID 1518652