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8-exo-Methyl 3,6-dioxo-2-phenyl-2,5-diazabicyclo[2.2.2]octane-7(8)-carboxylate isomer
SpectraBase Compound ID XvkOuzur0u
InChI InChI=1S/C14H14N2O4/c1-20-14(19)9-7-10-12(17)15-11(9)13(18)16(10)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3,(H,15,17)/t9?,10-,11-/m1/s1
InChIKey PQHWGYMJESRJSZ-FHZGLPGMSA-N
Mol Weight 274.28 g/mol
Molecular Formula C14H14N2O4
Exact Mass 274.095357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4eBoeduoFsU
Name 8-exo-Methyl 3,6-dioxo-2-phenyl-2,5-diazabicyclo[2.2.2]octane-7(8)-carboxylate isomer
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Formula C14H14N2O4
InChI InChI=1S/C14H14N2O4/c1-20-14(19)9-7-10-12(17)15-11(9)13(18)16(10)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3,(H,15,17)/t9?,10-,11-/m1/s1
InChIKey PQHWGYMJESRJSZ-FHZGLPGMSA-N
Molecular Weight 274.276 g/mol
SMILES N1C([C@@]2(N(C([C@]1(C(C2)C(=O)OC)[H])=O)c1ccccc1)[H])=O
SPLASH splash10-00di-0090000000-bfcdde970c975c73a5bb
Source of Spectrum KC-57-3217-14
Wiley ID 1623749