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Ethyl (2R,3R,3aS)-3-benzoylhexahydro-2H-isoxazolo[2,3-a]pyridine-2-carboxylate
SpectraBase Compound ID HeqwIt2uLT6
InChI InChI=1S/C17H21NO4/c1-2-21-17(20)16-14(13-10-6-7-11-18(13)22-16)15(19)12-8-4-3-5-9-12/h3-5,8-9,13-14,16H,2,6-7,10-11H2,1H3/t13-,14-,16+/m0/s1
InChIKey OLSRKERSLWQXBN-OFQRWUPVSA-N
Mol Weight 303.36 g/mol
Molecular Formula C17H21NO4
Exact Mass 303.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CHXexX86SyW
Name Ethyl (2R,3R,3aS)-3-benzoylhexahydro-2H-isoxazolo[2,3-a]pyridine-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO4
InChI InChI=1S/C17H21NO4/c1-2-21-17(20)16-14(13-10-6-7-11-18(13)22-16)15(19)12-8-4-3-5-9-12/h3-5,8-9,13-14,16H,2,6-7,10-11H2,1H3/t13-,14-,16+/m0/s1
InChIKey OLSRKERSLWQXBN-OFQRWUPVSA-N
Molecular Weight 303.358 g/mol
SMILES [C@]1([C@@]([C@@]2(CCCCN2O1)[H])(C(=O)c1ccccc1)[H])(C(=O)OCC)[H]
SPLASH splash10-0a6r-6900000000-66f257d92ea38111ac84
Source of Spectrum F-54-10871-17
Synonyms Ethyl (2RS,3RS,3aRS)-3-benzoyl-hexahydro-2H-isoxazolo[2,3-a]pyridine-2-carboxylate
Wiley ID 808582