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2-(4-Chloro-2-nitro-anilino)-6-methyl-tetrahydropyran-3,4,5-triol

View entire compound with spectra: 1 MS (GC)

2-(4-Chloro-2-nitro-anilino)-6-methyl-tetrahydropyran-3,4,5-triol
SpectraBase Compound ID IfAoyrdcBvD
InChI InChI=1S/C12H15ClN2O6/c1-5-9(16)10(17)11(18)12(21-5)14-7-3-2-6(13)4-8(7)15(19)20/h2-5,9-12,14,16-18H,1H3/t5-,9-,10+,11+,12+/m0/s1
InChIKey MZGWUMLEARWVSJ-YTYCZEAOSA-N
Mol Weight 318.71 g/mol
Molecular Formula C12H15ClN2O6
Exact Mass 318.061864 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I9HKnANXRED
Name 2-(4-Chloro-2-nitro-anilino)-6-methyl-tetrahydropyran-3,4,5-triol
Alternate Name(s) 2-(4-Chloro-2-nitroanilino)-6-methyloxane-3,4,5-triol 2-[(4-chloranyl-2-nitro-phenyl)amino]-6-methyl-oxane-3,4,5-triol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15ClN2O6
InChI InChI=1S/C12H15ClN2O6/c1-5-9(16)10(17)11(18)12(21-5)14-7-3-2-6(13)4-8(7)15(19)20/h2-5,9-12,14,16-18H,1H3/t5-,9-,10+,11+,12+/m0/s1
InChIKey MZGWUMLEARWVSJ-YTYCZEAOSA-N
Molecular Weight 318.713 g/mol
SMILES O[C@]1([C@]([C@@](O[C@]([C@@]1(O)[H])(C)[H])(Nc1c(N(=O)=O)cc(cc1)Cl)[H])(O)[H])[H]
SPLASH splash10-0006-9400000000-84bc4dcd9ff15af3f570
Wiley ID 1451809