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(4aR,8aR)-Ethyl 4a-fluoro-7-oxo-3,4,4a,7,8,8a-hexahydro-2H-quinoline-1-carboxylate
SpectraBase Compound ID Ej2FJaXX19I
InChI InChI=1S/C12H16FNO3/c1-2-17-11(16)14-7-3-5-12(13)6-4-9(15)8-10(12)14/h4,6,10H,2-3,5,7-8H2,1H3/t10-,12-/m1/s1
InChIKey NSKMSRWVRYZXEY-ZYHUDNBSSA-N
Mol Weight 241.26 g/mol
Molecular Formula C12H16FNO3
Exact Mass 241.111422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZdXMHWFkQY
Name (4aR,8aR)-Ethyl 4a-fluoro-7-oxo-3,4,4a,7,8,8a-hexahydro-2H-quinoline-1-carboxylate
Alternate Name(s) Ethyl (4aR,8aR)-4a-fluoro-7-oxo-3,4,4a,7,8,8a-hexahydro-1(2H)-quinolinecarboxylate Ethyl 4a-fluoro-7-oxoquinolinone-1-carboxylate
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Formula C12H16FNO3
InChI InChI=1S/C12H16FNO3/c1-2-17-11(16)14-7-3-5-12(13)6-4-9(15)8-10(12)14/h4,6,10H,2-3,5,7-8H2,1H3/t10-,12-/m1/s1
InChIKey NSKMSRWVRYZXEY-ZYHUDNBSSA-N
Molecular Weight 241.262 g/mol
SMILES [C@]12(N(CCC[C@]2(C=CC(C1)=O)F)C(=O)OCC)[H]
SPLASH splash10-05fr-7090000000-d61be967031f64821408
Source of Spectrum AT-40-4186-5
Wiley ID 854524