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3,4,5,5a,6,7,8,8a-Octahydro-6,8-dioxo-3-methoxymethyl-7-phenylpyrrolo[3,4-e]benzimidazole
SpectraBase Compound ID 31xypSizkYy
InChI InChI=1S/C17H17N3O3/c1-23-10-19-9-18-15-13(19)8-7-12-14(15)17(22)20(16(12)21)11-5-3-2-4-6-11/h2-6,9,12,14H,7-8,10H2,1H3
InChIKey CZKKNBWWTHJKTJ-UHFFFAOYSA-N
Mol Weight 311.34 g/mol
Molecular Formula C17H17N3O3
Exact Mass 311.126991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LuHVPtKhcys
Name 3,4,5,5a,6,7,8,8a-Octahydro-6,8-dioxo-3-methoxymethyl-7-phenylpyrrolo[3,4-e]benzimidazole
Alternate Name(s) 3-(methoxymethyl)-7-phenyl-4,5,5a,8a-tetrahydroimidazo[4,5-e]isoindole-6,8(3H,7H)-dione cis-3,4,5,5a,6,7,8,8a-Octahydro-6,8-dioxo-3-methoxy-7-phenylpyrrolo[3,4-e]benzimidazole
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Formula C17H17N3O3
InChI InChI=1S/C17H17N3O3/c1-23-10-19-9-18-15-13(19)8-7-12-14(15)17(22)20(16(12)21)11-5-3-2-4-6-11/h2-6,9,12,14H,7-8,10H2,1H3
InChIKey CZKKNBWWTHJKTJ-UHFFFAOYSA-N
Molecular Weight 311.341 g/mol
SMILES C12c3nc[n](c3CCC2C(=O)N(C1=O)c1ccccc1)COC
SPLASH splash10-03xr-2943000000-8392f27328348129caef
Source of Spectrum AT-35-8310-6
Wiley ID 852981