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7-[(4R,5R)-4,5-Bis(methoxycarbonyl)tetrahydroisoxazol-2-yl]-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
SpectraBase Compound ID H29gSZ1sgfF
InChI InChI=1S/C19H19FN2O8/c1-4-21-7-10(17(24)25)15(23)9-5-12(20)14(6-13(9)21)22-8-11(18(26)28-2)16(30-22)19(27)29-3/h5-7,11,16H,4,8H2,1-3H3,(H,24,25)/t11-,16-/m1/s1
InChIKey NCNHXXIKTXLGEC-BDJLRTHQSA-N
Mol Weight 422.37 g/mol
Molecular Formula C19H19FN2O8
Exact Mass 422.112544 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FG8KdoNeepc
Name 7-[(4R,5R)-4,5-Bis(methoxycarbonyl)tetrahydroisoxazol-2-yl]-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Alternate Name(s) 7-[(4R,5R)-4,5-bis(methoxycarbonyl)isoxazolidinyl]-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid 7-[trans-4,5-Bis(methoxycarbonyl)tetrahydroisoxazol-2-yl]-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinolone-3-carboxylic acid
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Formula C19H19FN2O8
InChI InChI=1S/C19H19FN2O8/c1-4-21-7-10(17(24)25)15(23)9-5-12(20)14(6-13(9)21)22-8-11(18(26)28-2)16(30-22)19(27)29-3/h5-7,11,16H,4,8H2,1-3H3,(H,24,25)/t11-,16-/m1/s1
InChIKey NCNHXXIKTXLGEC-BDJLRTHQSA-N
Molecular Weight 422.365 g/mol
SMILES OC(C=1C(c2cc(F)c(N3O[C@@](C(=O)OC)([C@@](C3)(C(=O)OC)[H])[H])cc2N(C1)CC)=O)=O
SPLASH splash10-0006-0091000000-79b64507e008143d073f
Source of Spectrum O1-36-1807-8
Wiley ID 819856