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Methyl (3R,9aS)-1-benzyl-3-phenyl-2,3,7,8,9,9a-hexahydro-1H-pyrrolo[1,2,3-de]quinoxaline-6-carboxylate
SpectraBase Compound ID 5sg04z79zi1
InChI InChI=1S/C25H26N2O2/c1-29-25(28)21-16-27-23(19-11-6-3-7-12-19)17-26(15-18-9-4-2-5-10-18)22-14-8-13-20(21)24(22)27/h2-7,9-12,16,22-23H,8,13-15,17H2,1H3/t22-,23-/m0/s1
InChIKey GUXQZCJPOBKEEW-GOTSBHOMSA-N
Mol Weight 386.5 g/mol
Molecular Formula C25H26N2O2
Exact Mass 386.199428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C1zc2MqQ9Zx
Name Methyl (3R,9aS)-1-benzyl-3-phenyl-2,3,7,8,9,9a-hexahydro-1H-pyrrolo[1,2,3-de]quinoxaline-6-carboxylate
Alternate Name(s) Methyl (3R,9S)-1-benzyl-5-phenyl-2,3,7,8,9,9a-hexahydro-1H-pyrrolo[1,2,3-de]quinoxaline-6-carboxylate (3R,9aS)-methyl 1-benzyl-3-phenyl-2,3,7,8,9,9a-hexahydro-1H-pyrrolo[1,2,3-de]quinoxaline-6-carboxylate
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Formula C25H26N2O2
InChI InChI=1S/C25H26N2O2/c1-29-25(28)21-16-27-23(19-11-6-3-7-12-19)17-26(15-18-9-4-2-5-10-18)22-14-8-13-20(21)24(22)27/h2-7,9-12,16,22-23H,8,13-15,17H2,1H3/t22-,23-/m0/s1
InChIKey GUXQZCJPOBKEEW-GOTSBHOMSA-N
Molecular Weight 386.495 g/mol
SMILES c12[n]3[C@@](CN([C@]1(CCCc2c(c3)C(=O)OC)[H])Cc1ccccc1)(c1ccccc1)[H]
SPLASH splash10-066u-6089000000-9391f7dd700817278a22
Source of Spectrum F5-4-3164-14g
Wiley ID 1732924