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(4S,11AS)-2,4-DIMETHYL-1-(3-INDOLYLMETHYL)-2,4,11,11A-TETRAHYDRO-1H-PYRAZINO-[2,1-B]-QUINAZOLINE-3,6-DIONE
SpectraBase Compound ID IMYRyROxrGI
InChI InChI=1S/C22H22N4O2/c1-13-21(27)25(2)19(11-14-12-23-17-9-5-3-7-15(14)17)20-24-18-10-6-4-8-16(18)22(28)26(13)20/h3-10,12-13,19-20,23-24H,11H2,1-2H3/t13-,19-,20-/m0/s1
InChIKey OEIVXCXBVJQDKO-MRFFXTKBSA-N
Mol Weight 374.44 g/mol
Molecular Formula C22H22N4O2
Exact Mass 374.174276 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B3wTk2ACOxg
Name (4S,11AS)-2,4-DIMETHYL-1-(3-INDOLYLMETHYL)-2,4,11,11A-TETRAHYDRO-1H-PYRAZINO-[2,1-B]-QUINAZOLINE-3,6-DIONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22N4O2
InChI InChI=1S/C22H22N4O2/c1-13-21(27)25(2)19(11-14-12-23-17-9-5-3-7-15(14)17)20-24-18-10-6-4-8-16(18)22(28)26(13)20/h3-10,12-13,19-20,23-24H,11H2,1-2H3/t13-,19-,20-/m0/s1
InChIKey OEIVXCXBVJQDKO-MRFFXTKBSA-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 374.442 g/mol
Sample ID 59319
Solvent CDCl3