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(4S,11AS)-2,4-DIMETHYL-1-(3-CHLOROBENZYL)-2,4,11,11A-TETRAHYDRO-1H-PYRAZINO-[2,1-B]-QUINAZOLINE-3,6-DIONE
SpectraBase Compound ID CWxRF2CYJHk
InChI InChI=1S/C20H20ClN3O2/c1-12-19(25)23(2)17(11-13-6-5-7-14(21)10-13)18-22-16-9-4-3-8-15(16)20(26)24(12)18/h3-10,12,17-18,22H,11H2,1-2H3/t12-,17-,18-/m0/s1
InChIKey ZZEBMEQESZZEOI-IGNZVWTISA-N
Mol Weight 369.85 g/mol
Molecular Formula C20H20ClN3O2
Exact Mass 369.124405 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FJmqZGlnQUJ
Name (4S,11AS)-2,4-DIMETHYL-1-(3-CHLOROBENZYL)-2,4,11,11A-TETRAHYDRO-1H-PYRAZINO-[2,1-B]-QUINAZOLINE-3,6-DIONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H20ClN3O2
InChI InChI=1S/C20H20ClN3O2/c1-12-19(25)23(2)17(11-13-6-5-7-14(21)10-13)18-22-16-9-4-3-8-15(16)20(26)24(12)18/h3-10,12,17-18,22H,11H2,1-2H3/t12-,17-,18-/m0/s1
InChIKey ZZEBMEQESZZEOI-IGNZVWTISA-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 369.851 g/mol
Sample ID 59320
Solvent CDCl3