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9-[7-hydroxy-3-(4-hydroxyphenyl)-4-keto-chromen-2-yl]pelargonic acid methyl ester
SpectraBase Compound ID 2wWjif6WeL
InChI InChI=1S/C25H28O6/c1-30-23(28)9-7-5-3-2-4-6-8-21-24(17-10-12-18(26)13-11-17)25(29)20-15-14-19(27)16-22(20)31-21/h10-16,26-27H,2-9H2,1H3
InChIKey VZOBRAGBTMRGFI-UHFFFAOYSA-N
Mol Weight 424.49 g/mol
Molecular Formula C25H28O6
Exact Mass 424.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KEi3F1Eavh3
Name 9-[7-hydroxy-3-(4-hydroxyphenyl)-4-keto-chromen-2-yl]pelargonic acid methyl ester
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Formula C25H28O6
InChI InChI=1S/C25H28O6/c1-30-23(28)9-7-5-3-2-4-6-8-21-24(17-10-12-18(26)13-11-17)25(29)20-15-14-19(27)16-22(20)31-21/h10-16,26-27H,2-9H2,1H3
InChIKey VZOBRAGBTMRGFI-UHFFFAOYSA-N
Molecular Weight 424.493 g/mol
SMILES Oc1ccc2C(C(c3ccc(cc3)O)=C(Oc2c1)CCCCCCCCC(=O)OC)=O
SPLASH splash10-001i-0091400000-52a15d79fa2a53eb6e3f
Source of Spectrum SO-0-414-2
Synonyms 9-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-1-benzopyran-2-yl]nonanoic acid methyl ester Methyl 9-[3-(4-hydroxyphenyl)-7-oxidanyl-4-oxidanylidene-chromen-2-yl]nonanoate Methyl 9-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-chromen-2-yl]nonanoate
Wiley ID 877376