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3-Oxa-6-azabicyclo[3.2.2]nonane-6-carboxylic acid, 7-[(benzoyloxy)methyl]-2-oxo-, phenylmethyl ester, (1.alpha.,5.alpha.,7.alpha.)-
SpectraBase Compound ID AFZGBavBUP9
InChI InChI=1S/C23H23NO6/c25-21(17-9-5-2-6-10-17)29-15-20-19-12-11-18(14-28-22(19)26)24(20)23(27)30-13-16-7-3-1-4-8-16/h1-10,18-20H,11-15H2/t18-,19-,20+/m1/s1
InChIKey YWVJZRFYYVKOOP-AQNXPRMDSA-N
Mol Weight 409.44 g/mol
Molecular Formula C23H23NO6
Exact Mass 409.152537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID NIeqolXnXb
Name 3-Oxa-6-azabicyclo[3.2.2]nonane-6-carboxylic acid, 7-[(benzoyloxy)methyl]-2-oxo-, phenylmethyl ester, (1.alpha.,5.alpha.,7.alpha.)-
Alternate Name(s) 6-Benzyloxycarbonyl-2-oxo-3oxa-6-azabicyclo[3.2.2]nonan-7-ylmethyl benzoate benzyl (1R,5R,7R)-7-[(benzoyloxy)methyl]-2-oxo-3-oxa-6-azabicyclo[3.2.2]nonane-6-carboxylate
CAS Registry Number 65961-29-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23NO6
InChI InChI=1S/C23H23NO6/c25-21(17-9-5-2-6-10-17)29-15-20-19-12-11-18(14-28-22(19)26)24(20)23(27)30-13-16-7-3-1-4-8-16/h1-10,18-20H,11-15H2/t18-,19-,20+/m1/s1
InChIKey YWVJZRFYYVKOOP-AQNXPRMDSA-N
Molecular Weight 409.438 g/mol
SMILES [C@@]1(N([C@]2(COC([C@@]1(CC2)[H])=O)[H])C(OCc1ccccc1)=O)(COC(=O)c1ccccc1)[H]
SPLASH splash10-0a5a-0930000000-fd6a3a27f2642756c979
Source of Spectrum KC-1977-2346-7
Wiley ID 1373336