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1-Ethyl-6-fluoro-7-(4-hexanoyl-1-piperazinyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

View entire compound with spectra: 2 NMR

1-Ethyl-6-fluoro-7-(4-hexanoyl-1-piperazinyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
SpectraBase Compound ID In57rDjsfd9
InChI InChI=1S/C22H28FN3O4/c1-3-5-6-7-20(27)26-10-8-25(9-11-26)19-13-18-15(12-17(19)23)21(28)16(22(29)30)14-24(18)4-2/h12-14H,3-11H2,1-2H3,(H,29,30)
InChIKey LTUUSLDSFNIQNE-UHFFFAOYSA-N
Mol Weight 417.48 g/mol
Molecular Formula C22H28FN3O4
Exact Mass 417.206385 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID e8fOCrmnHB
Name 1-Ethyl-6-fluoro-7-(4-hexanoyl-1-piperazinyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.206384553 u
Formula C22H28FN3O4
InChI InChI=1S/C22H28FN3O4/c1-3-5-6-7-20(27)26-10-8-25(9-11-26)19-13-18-15(12-17(19)23)21(28)16(22(29)30)14-24(18)4-2/h12-14H,3-11H2,1-2H3,(H,29,30)
InChIKey LTUUSLDSFNIQNE-UHFFFAOYSA-N
Molecular Weight 417.481 g/mol
SMILES OC(C=1C(C2=CC(F)=C(C=C2N(C1)CC)N1CCN(CC1)C(=O)CCCCC)=O)=O