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9-Ethoxy-N-3-benzyl-7-phenyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a][1,8]naphthridino-5,5,8-tricarbonitrile
SpectraBase Compound ID 98eLt2jgod4
InChI InChI=1S/C29H26N6O/c1-2-36-28-24(16-30)26(22-11-7-4-8-12-22)23-15-29(19-31,20-32)25-18-34(13-14-35(25)27(23)33-28)17-21-9-5-3-6-10-21/h3-12,25H,2,13-15,17-18H2,1H3
InChIKey JTGCUSUSJMZYCC-UHFFFAOYSA-N
Mol Weight 474.57 g/mol
Molecular Formula C29H26N6O
Exact Mass 474.216809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID iunshsli6B
Name 9-Ethoxy-N-3-benzyl-7-phenyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a][1,8]naphthridino-5,5,8-tricarbonitrile
Alternate Name(s) 8-Benzyl-2-ethoxy-4-phenyl-7,8,9,10-tetrahydro-5H-pyrazino[1,2-a][1,8]naphthyridine-3,6,6(6aH)-tricarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H26N6O
InChI InChI=1S/C29H26N6O/c1-2-36-28-24(16-30)26(22-11-7-4-8-12-22)23-15-29(19-31,20-32)25-18-34(13-14-35(25)27(23)33-28)17-21-9-5-3-6-10-21/h3-12,25H,2,13-15,17-18H2,1H3
InChIKey JTGCUSUSJMZYCC-UHFFFAOYSA-N
Molecular Weight 474.568 g/mol
SMILES c12N3C(CN(CC3)Cc3ccccc3)C(Cc2c(c(C#N)c(n1)OCC)-c1ccccc1)(C#N)C#N
SPLASH splash10-0007-7983100000-e8aec0a8ce08fd204509
Source of Spectrum H1-36-1345-4
Wiley ID 755332