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(4S,11AS)-11-BENZYL-2,4-DIMETHYL-2,4,11,11A-TETRAHYDRO-1H-PYRAZINO-[2,1-B]-QUINAZOLINE-3,6-DIONE
SpectraBase Compound ID E13RIdkRrul
InChI InChI=1S/C20H21N3O2/c1-14-19(24)21(2)13-18-22(12-15-8-4-3-5-9-15)17-11-7-6-10-16(17)20(25)23(14)18/h3-11,14,18H,12-13H2,1-2H3/t14-,18+/m0/s1
InChIKey RNHOLJUQZBHWIQ-KBXCAEBGSA-N
Mol Weight 335.41 g/mol
Molecular Formula C20H21N3O2
Exact Mass 335.163377 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FYkXddfg7PT
Name (4S,11AS)-11-BENZYL-2,4-DIMETHYL-2,4,11,11A-TETRAHYDRO-1H-PYRAZINO-[2,1-B]-QUINAZOLINE-3,6-DIONE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H21N3O2
InChI InChI=1S/C20H21N3O2/c1-14-19(24)21(2)13-18-22(12-15-8-4-3-5-9-15)17-11-7-6-10-16(17)20(25)23(14)18/h3-11,14,18H,12-13H2,1-2H3/t14-,18+/m0/s1
InChIKey RNHOLJUQZBHWIQ-KBXCAEBGSA-N
Literature Reference Author S.MARTIN-SANTAMARIA,M.ESPADA,C.AVENDANO
Literature Reference Citation J.ORG.CHEM.,64,7233(1999)
Literature Reference DOI 10.1021/jo981957b
Molecular Weight 335.406 g/mol
Sample ID 59321
Solvent CDCl3