John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=9fDLRHMu08z SpectraBase Spectrum ID=2V9uYQo0djM

(accessed ).
N-[6-FLUORO-7-(4-METHYL-1-PIPERAZINYL)-3-METHYL-2-QUINOXALOYL]-2-AMINO-3-METHYLPENTANOL-1,4-DIOXIDE
SpectraBase Compound ID 9fDLRHMu08z
InChI InChI=1S/C21H30FN5O4/c1-5-13(2)16(12-28)23-21(29)20-14(3)26(30)18-10-15(22)17(11-19(18)27(20)31)25-8-6-24(4)7-9-25/h10-11,13,16,28H,5-9,12H2,1-4H3,(H,23,29)
InChIKey POMDOFXNXMHTOZ-UHFFFAOYSA-N
Mol Weight 435.5 g/mol
Molecular Formula C21H30FN5O4
Exact Mass 435.228183 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2V9uYQo0djM
Name N-[6-FLUORO-7-(4-METHYL-1-PIPERAZINYL)-3-METHYL-2-QUINOXALOYL]-2-AMINO-3-METHYLPENTANOL-1,4-DIOXIDE
Compound Number 12E
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30FN5O4
InChI InChI=1S/C21H30FN5O4/c1-5-13(2)16(12-28)23-21(29)20-14(3)26(30)18-10-15(22)17(11-19(18)27(20)31)25-8-6-24(4)7-9-25/h10-11,13,16,28H,5-9,12H2,1-4H3,(H,23,29)
InChIKey POMDOFXNXMHTOZ-UHFFFAOYSA-N
Literature Reference Author M.M.EL-ABADELAH,M.Z.NAZER,N.S.EL-ABADLA,H.MEIER
Literature Reference Citation HETEROCYCLES,41,2203(1995)
Literature Reference DOI 10.3987/COM-95-7128
Molecular Weight 435.499 g/mol
Solvent CDCl3
Source File Reference UWCP7759
SpectraBase Batch ID F4JPTY2NIp0