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7-[3',4'-Dihydroxy-3'-(hydroxymethyl)butoxy]-2H-[1]-benzopyran-2-one
SpectraBase Compound ID 6oD7B5HXMb5
InChI InChI=1S/C14H16O6/c15-8-14(18,9-16)5-6-19-11-3-1-10-2-4-13(17)20-12(10)7-11/h1-4,7,15-16,18H,5-6,8-9H2
InChIKey ITCCTJJBRDDEIT-UHFFFAOYSA-N
Mol Weight 280.28 g/mol
Molecular Formula C14H16O6
Exact Mass 280.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FFeIIQHp63C
Name 7-[3',4'-Dihydroxy-3'-(hydroxymethyl)butoxy]-2H-[1]-benzopyran-2-one
Alternate Name(s) 7-[3,4-dihydroxy-3-(hydroxymethyl)butoxy]-2H-chromen-2-one 7-[3,4-dihydroxy-3-(hydroxymethyl)butoxy]-1-benzopyran-2-one 7-[3,4-dihydroxy-3-(hydroxymethyl)butoxy]chromen-2-one 7-[3-(hydroxymethyl)-3,4-bis(oxidanyl)butoxy]chromen-2-one
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Formula C14H16O6
InChI InChI=1S/C14H16O6/c15-8-14(18,9-16)5-6-19-11-3-1-10-2-4-13(17)20-12(10)7-11/h1-4,7,15-16,18H,5-6,8-9H2
InChIKey ITCCTJJBRDDEIT-UHFFFAOYSA-N
Molecular Weight 280.276 g/mol
SMILES OC(CO)(CCOc1cc2OC(C=Cc2cc1)=O)CO
SPLASH splash10-015a-9400000000-b7325b6bd922e1fd32a0
Source of Spectrum H-86-2466-1
Wiley ID 1525525