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5'-HYDROXY-ISO-AVRAINVILLEOL
SpectraBase Compound ID 6K4pfX1v1gu
InChI InChI=1S/C14H12Br2O5/c15-9-2-6(3-10(18)13(9)20)1-8-7(5-17)4-11(19)14(21)12(8)16/h2-4,17-21H,1,5H2
InChIKey SEXYDDXUERLOFL-UHFFFAOYSA-N
Mol Weight 420.05 g/mol
Molecular Formula C14H12Br2O5
Exact Mass 417.905149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IaKW79Jvi2n
Name 5-Hydroxy-Isoavrainvilleol
Alternate Name(s) 3-Bromo-4-[(3-bromo-4,5-dihydroxyphenyl)methyl]-5-(hydroxymethyl)benzene-1,2-diol 3-Bromo-4-[(3-bromo-4,5-dihydroxy-phenyl)methyl]-5-(hydroxymethyl)benzene-1,2-diol 3-Bromanyl-4-[[3-bromanyl-4,5-bis(oxidanyl)phenyl]methyl]-5-(hydroxymethyl)benzene-1,2-diol
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Formula C14H12Br2O5
InChI InChI=1S/C14H12Br2O5/c15-9-2-6(3-10(18)13(9)20)1-8-7(5-17)4-11(19)14(21)12(8)16/h2-4,17-21H,1,5H2
InChIKey SEXYDDXUERLOFL-UHFFFAOYSA-N
Molecular Weight 420.053 g/mol
SMILES OCc1c(c(c(c(c1)O)O)Br)Cc1cc(Br)c(c(c1)O)O
SPLASH splash10-0a59-6031900000-a02db7275d36b2d01b07
Source of Spectrum X2-50-369-3
Wiley ID 1602231