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2-Methyl-6-(3-nitro-5-phenylsulfanyl-anilino)tetrahydropyran-3,4,5-triol
SpectraBase Compound ID IW1OdKZyotN
InChI InChI=1S/C18H20N2O6S/c1-10-15(21)16(22)17(23)18(26-10)19-11-7-12(20(24)25)9-14(8-11)27-13-5-3-2-4-6-13/h2-10,15-19,21-23H,1H3/t10-,15-,16+,17+,18+/m1/s1
InChIKey FLTTUASWHSPFOB-OOEWDNHQSA-N
Mol Weight 392.43 g/mol
Molecular Formula C18H20N2O6S
Exact Mass 392.104208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GvCiVOpc3rT
Name 2-Methyl-6-(3-nitro-5-phenylsulfanyl-anilino)tetrahydropyran-3,4,5-triol
Alternate Name(s) 2-Methyl-6-(3-nitro-5-phenylsulfanylanilino)oxane-3,4,5-triol 2-Methyl-6-[(3-nitro-5-phenylsulfanyl-phenyl)amino]oxane-3,4,5-triol 2-Methyl-6-[3-nitro-5-(phenylthio)anilino]oxane-3,4,5-triol 2-Methyl-6-[3-nitro-5-(phenylthio)anilino]tetrahydropyran-3,4,5-triol 6-Deoxy-N-[3-nitro-5-(phenylsulfanyl)phenyl]hexopyranosylamine
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Formula C18H20N2O6S
InChI InChI=1S/C18H20N2O6S/c1-10-15(21)16(22)17(23)18(26-10)19-11-7-12(20(24)25)9-14(8-11)27-13-5-3-2-4-6-13/h2-10,15-19,21-23H,1H3/t10-,15-,16+,17+,18+/m1/s1
InChIKey FLTTUASWHSPFOB-OOEWDNHQSA-N
Molecular Weight 392.426 g/mol
SMILES O[C@@]1([C@@]([C@](O[C@@]([C@]1(O)[H])(C)[H])(Nc1cc(N(=O)=O)cc(c1)Sc1ccccc1)[H])(O)[H])[H]
SPLASH splash10-0200-6591000000-632a97d0a47aa97c7fcb
Wiley ID 1452349