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3-Oxa-6-azabicyclo[3.2.2]nonane-6,7-dicarboxylic acid, 2-oxo-, 7-methyl 6-(phenylmethyl) ester, (1.alpha.,5.alpha.,7.alpha.)-
SpectraBase Compound ID 9XfhAtiZFEe
InChI InChI=1S/C17H19NO6/c1-22-16(20)14-13-8-7-12(10-23-15(13)19)18(14)17(21)24-9-11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13-,14-/m1/s1
InChIKey OUCZJDBGNOAVRB-MGPQQGTHSA-N
Mol Weight 333.34 g/mol
Molecular Formula C17H19NO6
Exact Mass 333.121237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Wp45hPMAtt
Name 3-Oxa-6-azabicyclo[3.2.2]nonane-6,7-dicarboxylic acid, 2-oxo-, 7-methyl 6-(phenylmethyl) ester, (1.alpha.,5.alpha.,7.alpha.)-
CAS Registry Number 65961-28-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO6
InChI InChI=1S/C17H19NO6/c1-22-16(20)14-13-8-7-12(10-23-15(13)19)18(14)17(21)24-9-11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13-,14-/m1/s1
InChIKey OUCZJDBGNOAVRB-MGPQQGTHSA-N
Molecular Weight 333.340 g/mol
SMILES [C@@]1(N([C@]2(COC([C@@]1(CC2)[H])=O)[H])C(OCc1ccccc1)=O)(C(=O)OC)[H]
SPLASH splash10-05gi-0391000000-f2291c14b41d79eb199b
Source of Spectrum KC-1977-2346-0
Synonyms 6-Benzyl 7-methyl (1R,5R,7R)-2-oxo-3-oxa-6-azabicyclo[3.2.2]nonane-6,7-dicarboxylate Methyl-6-benzoyloxycarbonyl-2-oxo-3-oxa-6-azabicyclo[3.2.2]nonan-7-carboxylate
Wiley ID 1330162