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(2S,3S,8aR)-8a-ethyl-3-(hydroxymethyl)-2-(4-nitrophenyl)tetrahydro-2H-oxazolo[3,2-a]pyridin-5(3H)-one
SpectraBase Compound ID ExlgIS9f5jf
InChI InChI=1S/C16H20N2O5/c1-2-16-9-3-4-14(20)17(16)13(10-19)15(23-16)11-5-7-12(8-6-11)18(21)22/h5-8,13,15,19H,2-4,9-10H2,1H3/t13-,15-,16+/m0/s1
InChIKey KTSAFUVBZDLKTH-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 EseRpm6sCPO
Name (2S,3S,8aR)-8a-ethyl-3-(hydroxymethyl)-2-(4-nitrophenyl)tetrahydro-2H-oxazolo[3,2-a]pyridin-5(3H)-one
Alternate Name(s) (2S,3S,8aR)-8a-ethyl-3-(hydroxymethyl)-2-(4-nitrophenyl)-3,6,7,8-tetrahydro-2H-oxazolo[3,2-a]pyridin-5-one (2S,3S,8aR)-8a-ethyl-3-(hydroxymethyl)-2-(4-nitrophenyl)-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
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Formula C16H20N2O5
InChI InChI=1S/C16H20N2O5/c1-2-16-9-3-4-14(20)17(16)13(10-19)15(23-16)11-5-7-12(8-6-11)18(21)22/h5-8,13,15,19H,2-4,9-10H2,1H3/t13-,15-,16+/m0/s1
InChIKey KTSAFUVBZDLKTH-CWRNSKLLSA-N
Literature Reference DOI 10.1002/cjoc.20020201148
Molecular Weight 320.345 g/mol
SMILES OC[C@]1([C@](c2ccc(cc2)[N+](=O)[O-])(O[C@@]2(CCCC(=O)N12)CC)[H])[H]
SPLASH splash10-006x-2094000000-d50d7fa3bc8c9b3100ef
Source of Spectrum CJC-20-1442-11
Wiley ID 1774831