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7-[cis-4,5-Bis(ethoxycarbonyl)tetrahydroisoxazol-2-yl]-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinolone-3-carboxylic acid
SpectraBase Compound ID 6V6e60Cvh0Y
InChI InChI=1S/C21H23FN2O8/c1-4-23-9-12(19(26)27)17(25)11-7-14(22)16(8-15(11)23)24-10-13(20(28)30-5-2)18(32-24)21(29)31-6-3/h7-9,13,18H,4-6,10H2,1-3H3,(H,26,27)/t13-,18+/m0/s1
InChIKey WMTMXUWRLUWLAX-SCLBCKFNSA-N
Mol Weight 450.42 g/mol
Molecular Formula C21H23FN2O8
Exact Mass 450.143844 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4FOWbOWnWDn
Name 7-[cis-4,5-Bis(ethoxycarbonyl)tetrahydroisoxazol-2-yl]-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinolone-3-carboxylic acid
Alternate Name(s) 7-[(4S,5R)-4,5-bis(ethoxycarbonyl)isoxazolidinyl]-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid 7-[(4S,5R)-4,5-bis(ethoxycarbonyl)-2-isoxazolidinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid 7-[(4S,5R)-4,5-bis(ethoxycarbonyl)-1,2-oxazolidin-2-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid 7-[(4S,5R)-4,5-bis(ethoxycarbonyl)isoxazolidin-2-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid 7-[(4S,5R)-4,5-bis(ethoxycarbonyl)-1,2-oxazolidin-2-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid
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Formula C21H23FN2O8
InChI InChI=1S/C21H23FN2O8/c1-4-23-9-12(19(26)27)17(25)11-7-14(22)16(8-15(11)23)24-10-13(20(28)30-5-2)18(32-24)21(29)31-6-3/h7-9,13,18H,4-6,10H2,1-3H3,(H,26,27)/t13-,18+/m0/s1
InChIKey WMTMXUWRLUWLAX-SCLBCKFNSA-N
Molecular Weight 450.419 g/mol
SMILES OC(C=1C(c2cc(F)c(N3O[C@@](C(=O)OCC)([C@](C3)(C(=O)OCC)[H])[H])cc2N(C1)CC)=O)=O
SPLASH splash10-004i-0910000000-5fa504bf8a8b4b5810bb
Source of Spectrum O1-36-1806-7
Wiley ID 819857