For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
7-[4-(BIS-PHOSPHONO-METHYL)-PIPERIZIN-1-YL]-1-ETHYL-6-FLUORO-4-OXO-1,4-DIHYDRO-[1,8]-NAPHTHYRIDINE-3-CARBOXYLIC-ACID
SpectraBase Compound ID 7FC9Y3Nq5Et
InChI InChI=1S/C16H21FN4O9P2/c1-2-19-8-10(15(23)24)12(22)9-7-11(17)14(18-13(9)19)20-3-5-21(6-4-20)16(31(25,26)27)32(28,29)30/h7-8,16H,2-6H2,1H3,(H,23,24)(H2,25,26,27)(H2,28,29,30)
InChIKey VZOMNUFSBASLHD-UHFFFAOYSA-N
Mol Weight 494.31 g/mol
Molecular Formula C16H21FN4O9P2
Exact Mass 494.07678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1yVK9JPF4Qg
Name 7-[4-(BIS-PHOSPHONO-METHYL)-PIPERIZIN-1-YL]-1-ETHYL-6-FLUORO-4-OXO-1,4-DIHYDRO-[1,8]-NAPHTHYRIDINE-3-CARBOXYLIC-ACID
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H17FN4O9P2
InChI InChI=1S/C16H21FN4O9P2/c1-2-19-8-10(15(23)24)12(22)9-7-11(17)14(18-13(9)19)20-3-5-21(6-4-20)16(31(25,26)27)32(28,29)30/h7-8,16H,2-6H2,1H3,(H,23,24)(H2,25,26,27)(H2,28,29,30)
InChIKey VZOMNUFSBASLHD-UHFFFAOYSA-N
Literature Reference Author P.HERCZEGH,T.B.BUXTON,J.C.M.PHERSON,A.KOVACS-KULYASSA,P.D.BR EWER,F.SZTARICSKAI,G
Literature Reference Citation J.MED.CHEM.,45,2338(2002)
Literature Reference DOI 10.1021/jm0105326
Molecular Weight 490.278 g/mol
Sample ID 64391
Solvent D2O:K2CO3