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2-(3-bromo-4-methyl-anilino)-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
SpectraBase Compound ID EQOyjZIrdl7
InChI InChI=1S/C13H18BrNO5/c1-6-2-3-7(4-8(6)14)15-13-12(19)11(18)10(17)9(5-16)20-13/h2-4,9-13,15-19H,5H2,1H3/t9-,10-,11+,12+,13-/m0/s1
InChIKey DERFFWPLVQTHEZ-YYHQMBLXSA-N
Mol Weight 348.19 g/mol
Molecular Formula C13H18BrNO5
Exact Mass 347.036836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1uNnHqswRoA
Name 2-(3-bromo-4-methyl-anilino)-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18BrNO5
InChI InChI=1S/C13H18BrNO5/c1-6-2-3-7(4-8(6)14)15-13-12(19)11(18)10(17)9(5-16)20-13/h2-4,9-13,15-19H,5H2,1H3/t9-,10-,11+,12+,13-/m0/s1
InChIKey DERFFWPLVQTHEZ-YYHQMBLXSA-N
Molecular Weight 348.193 g/mol
SMILES O[C@]1([C@]([C@](O[C@]([C@@]1(O)[H])(CO)[H])(Nc1cc(Br)c(cc1)C)[H])(O)[H])[H]
SPLASH splash10-01p9-6951000000-3564b43a710eadbc25cf
Synonyms 2-(3-bromo-4-methyl-anilino)-6-methylol-tetrahydropyran-3,4,5-triol 2-(3-bromo-4-methylanilino)-6-(hydroxymethyl)oxane-3,4,5-triol 2-[(3-bromanyl-4-methyl-phenyl)amino]-6-(hydroxymethyl)oxane-3,4,5-triol N-(3-bromo-4-methylphenyl)hexopyranosylamine
Wiley ID 1452323