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Ethyl (3S,4R,5R)-3-azido-5-benzoyloxy-4-methanesulfonyloxy-cyclohex-1-ene-1-carboxylate
SpectraBase Compound ID ByNEPGDzRYI
InChI InChI=1S/C17H19N3O7S/c1-3-25-16(21)12-9-13(19-20-18)15(27-28(2,23)24)14(10-12)26-17(22)11-7-5-4-6-8-11/h4-9,13-15H,3,10H2,1-2H3/t13-,14+,15+/m0/s1
InChIKey JUZJGVJAXCOGJR-RRFJBIMHSA-N
Mol Weight 409.41 g/mol
Molecular Formula C17H19N3O7S
Exact Mass 409.094371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5bvnf3NJSh8
Name Ethyl (3S,4R,5R)-3-azido-5-benzoyloxy-4-methanesulfonyloxy-cyclohex-1-ene-1-carboxylate
Alternate Name(s) benzoic acid [(1R,5S,6R)-5-azido-3-ethoxycarbonyl-6-methylsulfonyloxy-1-cyclohex-3-enyl] ester [(1R,5S,6R)-5-azido-3-ethoxycarbonyl-6-methylsulfonyloxycyclohex-3-en-1-yl] benzoate [(1R,5S,6R)-5-azido-3-ethoxycarbonyl-6-methylsulfonyloxy-cyclohex-3-en-1-yl] benzoate
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Formula C17H19N3O7S
InChI InChI=1S/C17H19N3O7S/c1-3-25-16(21)12-9-13(19-20-18)15(27-28(2,23)24)14(10-12)26-17(22)11-7-5-4-6-8-11/h4-9,13-15H,3,10H2,1-2H3/t13-,14+,15+/m0/s1
InChIKey JUZJGVJAXCOGJR-RRFJBIMHSA-N
Molecular Weight 409.413 g/mol
SMILES [C@]1(OS(=O)(=O)C)([C@](C=C(C[C@]1(OC(=O)c1ccccc1)[H])C(=O)OCC)(N=[N+]=[N-])[H])[H]
SPLASH splash10-0a4i-1900000000-861374ca6cebdfdbb9ab
Source of Spectrum QC-20-126-6
Wiley ID 1688021