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2-[4-[chloro(difluoro)methoxy]anilino]-6-methyl-tetrahydropyran-3,4,5-triol
SpectraBase Compound ID IRsW3RbIjYE
InChI InChI=1S/C13H16ClF2NO5/c1-6-9(18)10(19)11(20)12(21-6)17-7-2-4-8(5-3-7)22-13(14,15)16/h2-6,9-12,17-20H,1H3/t6-,9-,10+,11+,12+/m0/s1
InChIKey SSZQWCRMTHHHNO-CZDOKNLBSA-N
Mol Weight 339.72 g/mol
Molecular Formula C13H16ClF2NO5
Exact Mass 339.068507 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JfRGdwyKl60
Name 2-[4-[chloro(difluoro)methoxy]anilino]-6-methyl-tetrahydropyran-3,4,5-triol
Alternate Name(s) 2-[4-[chloro(difluoro)methoxy]anilino]-6-methyloxane-3,4,5-triol 2-[[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]amino]-6-methyl-oxane-3,4,5-triol N-{4-[chloro(difluoro)methoxy]phenyl}-6-deoxyhexopyranosylamine
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Formula C13H16ClF2NO5
InChI InChI=1S/C13H16ClF2NO5/c1-6-9(18)10(19)11(20)12(21-6)17-7-2-4-8(5-3-7)22-13(14,15)16/h2-6,9-12,17-20H,1H3/t6-,9-,10+,11+,12+/m0/s1
InChIKey SSZQWCRMTHHHNO-CZDOKNLBSA-N
Molecular Weight 339.723 g/mol
SMILES O[C@]1([C@]([C@@](O[C@]([C@@]1(O)[H])(C)[H])(Nc1ccc(OC(F)(Cl)F)cc1)[H])(O)[H])[H]
SPLASH splash10-00di-7691000000-22c8772e1c27b254fb8f
Wiley ID 1452552