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Methyl 9-hydroxy-2-oxo-1-azatricyclo[7.3.0.0(3,8)]dodeca-3,4,6-trien-10-carboxylate isomer
SpectraBase Compound ID Bwkfnohsiiq
InChI InChI=1S/C13H13NO4/c1-18-12(16)10-6-7-14-11(15)8-4-2-3-5-9(8)13(10,14)17/h2-5,10,17H,6-7H2,1H3/t10-,13+/m1/s1
InChIKey NKQLQMPVKUHRTQ-MFKMUULPSA-N
Mol Weight 247.25 g/mol
Molecular Formula C13H13NO4
Exact Mass 247.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5n7jVmRnVii
Name Methyl 9-hydroxy-2-oxo-1-azatricyclo[7.3.0.0(3,8)]dodeca-3,4,6-trien-10-carboxylate isomer
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Formula C13H13NO4
InChI InChI=1S/C13H13NO4/c1-18-12(16)10-6-7-14-11(15)8-4-2-3-5-9(8)13(10,14)17/h2-5,10,17H,6-7H2,1H3/t10-,13+/m1/s1
InChIKey NKQLQMPVKUHRTQ-MFKMUULPSA-N
Molecular Weight 247.250 g/mol
SMILES O[C@]12N(C(=O)c3c2cccc3)CC[C@@]1(C(=O)OC)[H]
SPLASH splash10-03dr-0910000000-68e13b51e71e41622979
Source of Spectrum C-117-2707-40
Synonyms (9S,10R) Methyl 9-hydroxy-2-oxo-1-azatricyclo[7.3.0.0(3,8)]dodeca-3,4,6-trien-10-carboxylate isomer
Wiley ID 758733