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2-[4-[chloro(difluoro)methoxy]anilino]-6-(hydroxymethyl)oxane-3,4,5-triol
SpectraBase Compound ID AB5TDMM7MRd
InChI InChI=1S/C13H16ClF2NO6/c14-13(15,16)23-7-3-1-6(2-4-7)17-12-11(21)10(20)9(19)8(5-18)22-12/h1-4,8-12,17-21H,5H2/t8-,9-,10+,11+,12-/m1/s1
InChIKey HYAPWJKIBHNHTO-LDMBFOFVSA-N
Mol Weight 355.72 g/mol
Molecular Formula C13H16ClF2NO6
Exact Mass 355.063421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HUDuDmJ6VUd
Name 2-[4-[chloro(difluoro)methoxy]anilino]-6-(hydroxymethyl)oxane-3,4,5-triol
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Formula C13H16ClF2NO6
InChI InChI=1S/C13H16ClF2NO6/c14-13(15,16)23-7-3-1-6(2-4-7)17-12-11(21)10(20)9(19)8(5-18)22-12/h1-4,8-12,17-21H,5H2/t8-,9-,10+,11+,12-/m1/s1
InChIKey HYAPWJKIBHNHTO-LDMBFOFVSA-N
Molecular Weight 355.722 g/mol
SMILES O[C@@]1([C@@]([C@@](O[C@@]([C@]1(O)[H])(CO)[H])(Nc1ccc(OC(F)(Cl)F)cc1)[H])(O)[H])[H]
SPLASH splash10-074u-9320000000-6896f31091ae3bac5fe4
Synonyms 2-[4-[chloro(difluoro)methoxy]anilino]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol 2-[4-[chloro(difluoro)methoxy]anilino]-6-methylol-tetrahydropyran-3,4,5-triol 2-[[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]amino]-6-(hydroxymethyl)oxane-3,4,5-triol N-{4-[chloro(difluoro)methoxy]phenyl}hexopyranosylamine
Wiley ID 1452959