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(2R,3R,3aR)-3-benzoyl-3,3a,4,5,6,7-hexahydro-2H-isoxazolo[2,3-a]pyridine-2-carboxylic acid ethyl ester
SpectraBase Compound ID FFQOCsbIq4q
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-/m1/s1
InChIKey OLSRKERSLWQXBN-IJEWVQPXSA-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 DS9xsjUJcgY
Name (2R,3R,3aR)-3-benzoyl-3,3a,4,5,6,7-hexahydro-2H-isoxazolo[2,3-a]pyridine-2-carboxylic acid ethyl ester
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-/m1/s1
InChIKey OLSRKERSLWQXBN-IJEWVQPXSA-N
Molecular Weight 303.358 g/mol
SMILES [C@]1([C@@]([C@]2(CCCCN2O1)[H])(C(=O)c1ccccc1)[H])(C(=O)OCC)[H]
SPLASH splash10-0a4i-7900000000-a60a32f95bae6adc17a5
Source of Spectrum F-54-10871-17
Synonyms Ethyl (2R,3R,3aR)-3-(phenylcarbonyl)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine-2-carboxylate Ethyl (2R,3R,3aR)-3-benzoyl-3,3a,4,5,6,7-hexahydro-2H-isoxazolo[2,3-a]pyridine-2-carboxylate Ethyl (2R,3R,3aR)-3-benzoyl-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine-2-carboxylate
Wiley ID 808581