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1-(3-HYDROXYPHENYL)-6-FLUORO-7-PIPERAZINYL-4-OXO-1,4-DIHYDRO-QUINOLINE-3-CARBOXYLIC-ACID
SpectraBase Compound ID KIcLjLSwzD5
InChI InChI=1S/2C20H18FN3O4/c2*21-16-9-14-17(10-18(16)23-6-4-22-5-7-23)24(11-15(19(14)26)20(27)28)12-2-1-3-13(25)8-12/h2*1-3,8-11,22,25H,4-7H2,(H,27,28)
InChIKey IERSZZRQTUPEMD-UHFFFAOYSA-N
Mol Weight 766.76 g/mol
Molecular Formula C40H36F2N6O8
Exact Mass 766.256268 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6IElQc2pSqN
Name 1-(3-HYDROXYPHENYL)-6-FLUORO-7-PIPERAZINYL-4-OXO-1,4-DIHYDRO-QUINOLINE-3-CARBOXYLIC-ACID
Compound Number 6R
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H36F2N6O8
InChI InChI=1S/2C20H18FN3O4/c2*21-16-9-14-17(10-18(16)23-6-4-22-5-7-23)24(11-15(19(14)26)20(27)28)12-2-1-3-13(25)8-12/h2*1-3,8-11,22,25H,4-7H2,(H,27,28)
InChIKey IERSZZRQTUPEMD-UHFFFAOYSA-N
Literature Reference Author J.JUERGENS,H.SCHEDLETZKY,P.HEISIG,J.K.SEYDEL,B.WIEDEMANN,U.H OLZGRABE
Literature Reference Citation ARCH.PHARM.,329,179(1996)
Literature Reference DOI 10.1002/ardp.19963290403
Molecular Weight 766.758 g/mol
Solvent DMSO-D6:CF3COOD
Source File Reference UWRU5451