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(12aR)-2-{[(E)-(2,3-dimethoxyphenyl)methylidene]amino}-2,3,6,7,12,12a-hexahydropyrazino[2',1':6,1]pyrido[3,4-b]indole-1,4-dione

View entire compound with spectra: 2 NMR

(12aR)-2-{[(E)-(2,3-dimethoxyphenyl)methylidene]amino}-2,3,6,7,12,12a-hexahydropyrazino[2',1':6,1]pyrido[3,4-b]indole-1,4-dione
SpectraBase Compound ID C3h7JoSvE7
InChI InChI=1S/C23H22N4O4/c1-30-20-9-5-6-14(22(20)31-2)11-24-27-13-21(28)26-12-18-16(10-19(26)23(27)29)15-7-3-4-8-17(15)25-18/h3-9,11,19,25H,10,12-13H2,1-2H3/b24-11+
InChIKey NWFZAAHCMIXAGO-BHGWPJFGSA-N
Mol Weight 418.45 g/mol
Molecular Formula C23H22N4O4
Exact Mass 418.164105 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9kj8yWJeyRC
Name (12Ar)-2-{[(E)-(2,3-dimethoxyphenyl)methylidene]amino}-2,3,6,7,12,12A-hexahydropyrazino[2',1':6,1]pyrido[3,4-B]indole-1,4-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.164105200 u
Formula C23H22N4O4
InChI InChI=1S/C23H22N4O4/c1-30-20-9-5-6-14(22(20)31-2)11-24-27-13-21(28)26-12-18-16(10-19(26)23(27)29)15-7-3-4-8-17(15)25-18/h3-9,11,19,25H,10,12-13H2,1-2H3/b24-11+
InChIKey NWFZAAHCMIXAGO-BHGWPJFGSA-N
Molecular Weight 418.453 g/mol
SMILES N1C2=CC=CC=C2C=2CC3N(CC12)C(CN(C3=O)\N=C\C1=C(C(OC)=CC=C1)OC)=O