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(3S,8aR)-8a-ethyl-3-((S)-hydroxy(4-nitrophenyl)methyl)tetrahydro-2H-oxazolo[3,2-a]pyridin-5(3H)-one
SpectraBase Compound ID 8my8uKBLch3
InChI InChI=1S/C16H20N2O5/c1-2-16-9-3-4-14(19)17(16)13(10-23-16)15(20)11-5-7-12(8-6-11)18(21)22/h5-8,13,15,20H,2-4,9-10H2,1H3/t13-,15-,16+/m0/s1
InChIKey WMQDPEKXWJRENS-CWRNSKLLSA-N
Mol Weight 320.35 g/mol
Molecular Formula C16H20N2O5
Exact Mass 320.137222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2c3DWVvE9M
Name (3S,8aR)-8a-ethyl-3-((S)-hydroxy(4-nitrophenyl)methyl)tetrahydro-2H-oxazolo[3,2-a]pyridin-5(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O5
InChI InChI=1S/C16H20N2O5/c1-2-16-9-3-4-14(19)17(16)13(10-23-16)15(20)11-5-7-12(8-6-11)18(21)22/h5-8,13,15,20H,2-4,9-10H2,1H3/t13-,15-,16+/m0/s1
InChIKey WMQDPEKXWJRENS-CWRNSKLLSA-N
Literature Reference DOI 10.1002/cjoc.20020201148
Molecular Weight 320.345 g/mol
SMILES O[C@@](c1ccc(cc1)[N+](=O)[O-])([C@@]1(CO[C@]2(CC)CCCC(N12)=O)[H])[H]
SPLASH splash10-014i-5902000000-a64f2dba95388e27cef6
Source of Spectrum CJC-20-1442-12
Synonyms (3S,8aR)-8a-ethyl-3-[(S)-hydroxy-(4-nitrophenyl)methyl]-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one (3S,8aR)-8a-ethyl-3-[(S)-(4-nitrophenyl)-oxidanyl-methyl]-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
Wiley ID 1774832