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2-(3-nitro-5-phenylsulfanyl-anilino)tetrahydropyran-3,4,5-triol
SpectraBase Compound ID DAt6tMTGqcU
InChI InChI=1S/C17H18N2O6S/c20-14-9-25-17(16(22)15(14)21)18-10-6-11(19(23)24)8-13(7-10)26-12-4-2-1-3-5-12/h1-8,14-18,20-22H,9H2/t14-,15+,16-,17?/m0/s1
InChIKey XBMKODJDSTWVOB-TVXGVJEUSA-N
Mol Weight 378.4 g/mol
Molecular Formula C17H18N2O6S
Exact Mass 378.088557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bs9OzcRLHWt
Name 2-(3-nitro-5-phenylsulfanyl-anilino)tetrahydropyran-3,4,5-triol
Alternate Name(s) 2-(3-nitro-5-phenylsulfanylanilino)oxane-3,4,5-triol 2-[(3-nitro-5-phenylsulfanyl-phenyl)amino]oxane-3,4,5-triol 2-[3-nitro-5-(phenylthio)anilino]oxane-3,4,5-triol 2-[3-nitro-5-(phenylthio)anilino]tetrahydropyran-3,4,5-triol N-[3-nitro-5-(phenylsulfanyl)phenyl]pentopyranosylamine
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Formula C17H18N2O6S
InChI InChI=1S/C17H18N2O6S/c20-14-9-25-17(16(22)15(14)21)18-10-6-11(19(23)24)8-13(7-10)26-12-4-2-1-3-5-12/h1-8,14-18,20-22H,9H2/t14-,15+,16-,17?/m0/s1
InChIKey XBMKODJDSTWVOB-TVXGVJEUSA-N
Molecular Weight 378.399 g/mol
SMILES N(C1[C@]([C@@]([C@](CO1)(O)[H])(O)[H])(O)[H])c1cc(N(=O)=O)cc(c1)Sc1ccccc1
SPLASH splash10-0bvi-9570000000-12c2afde704a65b5bb08
Wiley ID 1451753