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8-endo-Methyl 4-methoxy-2-(4-methoxyphenyl)-3-oxo-2,5-diazabicyclo[2.2.2]octane-8-carboxylate isomer
SpectraBase Compound ID 6ta4O4i9GsE
InChI InChI=1S/C16H20N2O5/c1-21-12-6-4-10(5-7-12)18-11-8-13(14(19)22-2)16(23-3,15(18)20)17-9-11/h4-7,11,13,17H,8-9H2,1-3H3
InChIKey PDRPUAGIDBQVFV-UHFFFAOYSA-N
Mol Weight 320.35 g/mol
Molecular Formula C16H20N2O5
Exact Mass 320.137222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3aMiFDuRDHA
Name 8-endo-Methyl 4-methoxy-2-(4-methoxyphenyl)-3-oxo-2,5-diazabicyclo[2.2.2]octane-8-carboxylate isomer
Alternate Name(s) 8-exo-Methyl 4-methoxy-2-(4-methoxyphenyl)-3-oxo-2,5-diazabicyclo[2.2.2]octane-8-carboxylate isomer Methyl 1-methoxy-5-(4-methoxyphenyl)-6-oxo-2,5-diazabicyclo[2.2.2]octane-7-carboxylate
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Formula C16H20N2O5
InChI InChI=1S/C16H20N2O5/c1-21-12-6-4-10(5-7-12)18-11-8-13(14(19)22-2)16(23-3,15(18)20)17-9-11/h4-7,11,13,17H,8-9H2,1-3H3
InChIKey PDRPUAGIDBQVFV-UHFFFAOYSA-N
Molecular Weight 320.345 g/mol
SMILES N1CC2N(C(C1(C(C2)C(=O)OC)OC)=O)c1ccc(cc1)OC
SPLASH splash10-0005-0981000000-b9b2836a935bf52b524d
Source of Spectrum KC-57-3218-17
Wiley ID 1623741