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Pyrrolo[3,4-c]pyrrole-1-carboxylic acid, octahydro-1-methyl-4,6-dioxo-3,5-diphenyl-, methyl ester, (1.alpha.,3.alpha.,3a.beta.,6a.be ta.)-(.+-.)-
SpectraBase Compound ID 8H5NWfgrFSY
InChI InChI=1S/C21H20N2O4/c1-21(20(26)27-2)16-15(17(22-21)13-9-5-3-6-10-13)18(24)23(19(16)25)14-11-7-4-8-12-14/h3-12,15-17,22H,1-2H3
InChIKey DNKXMLRXBJGINR-UHFFFAOYSA-N
Mol Weight 364.4 g/mol
Molecular Formula C21H20N2O4
Exact Mass 364.142307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6CDj69NKysf
Name Pyrrolo[3,4-c]pyrrole-1-carboxylic acid, octahydro-1-methyl-4,6-dioxo-3,5-diphenyl-, methyl ester, (1.alpha.,3.alpha.,3a.beta.,6a.be ta.)-(.+-.)-
Alternate Name(s) Methyl 1-methyl-4,6-dioxo-3,5-diphenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate Methyl 2-methyl-6,8-dioxo-4,7-diphenyl-3,7-diazabicyclo[3.30]octane-2-carboxylate
CAS Registry Number 113430-14-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N2O4
InChI InChI=1S/C21H20N2O4/c1-21(20(26)27-2)16-15(17(22-21)13-9-5-3-6-10-13)18(24)23(19(16)25)14-11-7-4-8-12-14/h3-12,15-17,22H,1-2H3
InChIKey DNKXMLRXBJGINR-UHFFFAOYSA-N
Molecular Weight 364.401 g/mol
SMILES N1C(C2C(C1(C(=O)OC)C)C(N(C2=O)c1ccccc1)=O)c1ccccc1
SPLASH splash10-052f-0905000000-97fc7ed8d5e87e43bf0d
Source of Spectrum KC-1987-2292-16
Wiley ID 1350860