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RSP-1;4-(6-FLUOROBENZO-[D]-ISOXAZOL-3-YL)-1-[2-(2-METHYL-4-OXO-6,7,8,9-TETRAHYDRO-4H-PYRIDOL-[1,2A]-PYRIMIDIN-3-YL)-ETHYL]-HEXAHYDRO-1-PYRIDIMINIUMOLATE

View entire compound with spectra: 1 NMR

RSP-1;4-(6-FLUOROBENZO-[D]-ISOXAZOL-3-YL)-1-[2-(2-METHYL-4-OXO-6,7,8,9-TETRAHYDRO-4H-PYRIDOL-[1,2A]-PYRIMIDIN-3-YL)-ETHYL]-HEXAHYDRO-1-PYRIDIMINIUMOLATE
SpectraBase Compound ID ABceCdklIQ7
InChI InChI=1S/C23H27FN4O3/c1-15-18(23(29)27-10-3-2-4-21(27)25-15)9-13-28(30)11-7-16(8-12-28)22-19-6-5-17(24)14-20(19)31-26-22/h5-6,14,16H,2-4,7-13H2,1H3
InChIKey CQQKMRDMDXQQRT-UHFFFAOYSA-N
Mol Weight 426.49 g/mol
Molecular Formula C23H27FN4O3
Exact Mass 426.206719 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GJke1fjhqn6
Name RSP-1;4-(6-FLUOROBENZO-[D]-ISOXAZOL-3-YL)-1-[2-(2-METHYL-4-OXO-6,7,8,9-TETRAHYDRO-4H-PYRIDOL-[1,2A]-PYRIMIDIN-3-YL)-ETHYL]-HEXAHYDRO-1-PYRIDIMINIUMOLATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H27FN4O3
InChI InChI=1S/C23H27FN4O3/c1-15-18(23(29)27-10-3-2-4-21(27)25-15)9-13-28(30)11-7-16(8-12-28)22-19-6-5-17(24)14-20(19)31-26-22/h5-6,14,16H,2-4,7-13H2,1H3
InChIKey CQQKMRDMDXQQRT-UHFFFAOYSA-N
Literature Reference Author P.SATTANATHAN,J.M.BABU,K.VYAS,R.B.REDDY,S.T.RAJAN,P.SUDHAKAR
Literature Reference Citation J.PHARM.BIOM.ANAL.,40,598(2006)
Literature Reference DOI 10.1016/j.jpba.2005.10.034
Molecular Weight 426.491 g/mol
Solvent CD3OD
Source File Reference UWDB35