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3-(4,5-Dihydroxy-6-(hydroxymethyl)-6-methoxy-1,2-oxazan-2-yl)-4-iodo-5-methoxybenzoic acid methyl ester
SpectraBase Compound ID EiJENd3pgs0
InChI InChI=1S/C15H20INO8/c1-22-11-5-8(14(21)23-2)4-9(12(11)16)17-6-10(19)13(20)15(7-18,24-3)25-17/h4-5,10,13,18-20H,6-7H2,1-3H3
InChIKey GRAYVPXCTFBSCT-UHFFFAOYSA-N
Mol Weight 469.23 g/mol
Molecular Formula C15H20INO8
Exact Mass 469.023362 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jd1CD2EZZtT
Name 3-(4,5-Dihydroxy-6-(hydroxymethyl)-6-methoxy-1,2-oxazan-2-yl)-4-iodo-5-methoxybenzoic acid methyl ester
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Formula C15H20INO8
InChI InChI=1S/C15H20INO8/c1-22-11-5-8(14(21)23-2)4-9(12(11)16)17-6-10(19)13(20)15(7-18,24-3)25-17/h4-5,10,13,18-20H,6-7H2,1-3H3
InChIKey GRAYVPXCTFBSCT-UHFFFAOYSA-N
Molecular Weight 469.228 g/mol
SMILES OCC1(C(C(CN(O1)c1c(c(OC)cc(c1)C(=O)OC)I)O)O)OC
SPLASH splash10-00di-0009000000-6c352009740dc7357ecf
Source of Spectrum C-115-6097-15
Synonyms 3-(4,5-Dihydroxy-6-(hydroxymethyl)-6-methoxy-1,2-oxazan-2-yl)-4-iodo-5-methoxybenzoic acid methyl ester isomer Methyl 3-[4,5-dihydroxy-6-(hydroxymethyl)-6-methoxytetrahydro-2H-1,2-oxazin-2-yl]-4-iodo-5-methoxybenzoate
Wiley ID 1392589