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(3aR,3bS,7S,7aS)-4-Benzyl-1,3-dioxo-2-phenyl-decahydro-2,4,6a-triaza-cyclopenta[a]pentalene-7-carboxylic acid methyl ester
SpectraBase Compound ID F4MonDjlxTm
InChI InChI=1S/C23H23N3O4/c1-30-23(29)19-17-18(22(28)26(21(17)27)16-10-6-3-7-11-16)20-24(12-13-25(19)20)14-15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17-,18+,19-,20-/m0/s1
InChIKey QSLVLUPZSOLTLI-YRPNKDGESA-N
Mol Weight 405.45 g/mol
Molecular Formula C23H23N3O4
Exact Mass 405.168856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 20G1s1YS0qi
Name (3aR,3bS,7S,7aS)-4-Benzyl-1,3-dioxo-2-phenyl-decahydro-2,4,6a-triaza-cyclopenta[a]pentalene-7-carboxylic acid methyl ester
Alternate Name(s) 1-Benzyl-5-(methoxycarbonyl)-7-phenyloctahydro-1H-pyrrolo[4,3-c]imidazolo[1,2-a]pyrrol-6,8-dione Methyl (5S,5aS,8aR,8bS)-1-benzyl-6,8-dioxo-7-phenyldecahydropyrrolo[3',4':3,4]pyrrolo[1,2-a]imidazole-5-carboxylate (5S,5aS,8aR,8bS)-6,8-dioxo-7-phenyl-1-(phenylmethyl)-2,3,5,5a,8a,8b-hexahydropyrrolo[1,2]pyrrolo[4,5-a]imidazole-5-carboxylic acid methyl ester Methyl (5S,5aS,8aR,8bS)-1-benzyl-6,8-dioxo-7-phenyl-2,3,5,5a,8a,8b-hexahydropyrrolo[1,2]pyrrolo[4,5-a]imidazole-5-carboxylate Methyl (5S,5aS,8aR,8bS)-6,8-bis(oxidanylidene)-7-phenyl-1-(phenylmethyl)-2,3,5,5a,8a,8b-hexahydropyrrolo[1,2]pyrrolo[4,5-a]imidazole-5-carboxylate
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Formula C23H23N3O4
InChI InChI=1S/C23H23N3O4/c1-30-23(29)19-17-18(22(28)26(21(17)27)16-10-6-3-7-11-16)20-24(12-13-25(19)20)14-15-8-4-2-5-9-15/h2-11,17-20H,12-14H2,1H3/t17-,18+,19-,20-/m0/s1
InChIKey QSLVLUPZSOLTLI-YRPNKDGESA-N
Molecular Weight 405.454 g/mol
SMILES [C@]12([C@](C(=O)N(C2=O)c2ccccc2)([C@@](C(=O)OC)(N2[C@@]1(N(CC2)Cc1ccccc1)[H])[H])[H])[H]
SPLASH splash10-0006-9770000000-f3ea16004bc19ffff80c
Source of Spectrum KC-1-2068-12
Wiley ID 825813