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7-[4-Ethoxy-5,5-bis(ethoxycarbonyl)tetrahydroisoxazol-2-yl]-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinolone-3-carboxylic acid
SpectraBase Compound ID 2Bp2jIZI4fW
InChI InChI=1S/C23H27FN2O9/c1-5-25-11-14(20(28)29)19(27)13-9-15(24)17(10-16(13)25)26-12-18(32-6-2)23(35-26,21(30)33-7-3)22(31)34-8-4/h9-11,18H,5-8,12H2,1-4H3,(H,28,29)
InChIKey JWQWXEFYVYJLJH-UHFFFAOYSA-N
Mol Weight 494.47 g/mol
Molecular Formula C23H27FN2O9
Exact Mass 494.170059 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2deRsLBN3Tx
Name 7-[4-Ethoxy-5,5-bis(ethoxycarbonyl)tetrahydroisoxazol-2-yl]-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinolone-3-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27FN2O9
InChI InChI=1S/C23H27FN2O9/c1-5-25-11-14(20(28)29)19(27)13-9-15(24)17(10-16(13)25)26-12-18(32-6-2)23(35-26,21(30)33-7-3)22(31)34-8-4/h9-11,18H,5-8,12H2,1-4H3,(H,28,29)
InChIKey JWQWXEFYVYJLJH-UHFFFAOYSA-N
Molecular Weight 494.472 g/mol
SMILES OC(C=1C(c2cc(c(N3OC(C(C3)OCC)(C(=O)OCC)C(=O)OCC)cc2N(C1)CC)F)=O)=O
SPLASH splash10-016r-0970000000-ecbbace8e8715b89e7b1
Source of Spectrum O1-36-1808-10
Synonyms 7-[4-ethoxy-5,5-bis(ethoxycarbonyl)-2-isoxazolidinyl]-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
Wiley ID 819854