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(4aR,8S,8aS)-8-Bromo-4a-fluoro-7-oxo-3,4,4a,7,8,8a-hexahydro-2H-quinoline-1-carboxylic acid ethyl ester
SpectraBase Compound ID LZNMYSDxwO6
InChI InChI=1S/C12H15BrFNO3/c1-2-18-11(17)15-7-3-5-12(14)6-4-8(16)9(13)10(12)15/h4,6,9-10H,2-3,5,7H2,1H3/t9-,10-,12-/m1/s1
InChIKey WVAXAQOTSOJUIG-CKYFFXLPSA-N
Mol Weight 320.16 g/mol
Molecular Formula C12H15BrFNO3
Exact Mass 319.021935 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IgPK4aXchZI
Name (4aR,8S,8aS)-8-Bromo-4a-fluoro-7-oxo-3,4,4a,7,8,8a-hexahydro-2H-quinoline-1-carboxylic acid ethyl ester
Alternate Name(s) Ethyl (4aR,8S,8aS)-8-bromo-4a-fluoro-7-oxo-3,4,4a,7,8,8a-hexahydro-1(2H)-quinolinecarboxylate Ethyl 8-bromo-4a-fluoro-7-oxoquinolinone-1-carboxylate
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Formula C12H15BrFNO3
InChI InChI=1S/C12H15BrFNO3/c1-2-18-11(17)15-7-3-5-12(14)6-4-8(16)9(13)10(12)15/h4,6,9-10H,2-3,5,7H2,1H3/t9-,10-,12-/m1/s1
InChIKey WVAXAQOTSOJUIG-CKYFFXLPSA-N
Molecular Weight 320.158 g/mol
SMILES [C@@]12(N(CCC[C@]1(C=CC([C@]2(Br)[H])=O)F)C(=O)OCC)[H]
SPLASH splash10-0596-6591000000-d8f0664dd07c1a1e433d
Source of Spectrum AT-40-4186-7
Wiley ID 854523