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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.beta.)-
SpectraBase Compound ID 56zkdo4W1us
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/t15-,16-,17-,21-/m1/s1
InChIKey DNKXMLRXBJGINR-BZLDKRAPSA-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 KAFMVvAvtbB
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.beta.)-
Alternate Name(s) Methyl (1R,3S,3aR,6aS)-1-methyl-4,6-dioxo-3,5-diphenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate Methyl c-4,7-diphenyl-2-methyl-6,8-dioxo-3,7-diazabicyclo-[3.3.0]octane-r-2-carboxylate
CAS Registry Number 89902-59-0
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/t15-,16-,17-,21-/m1/s1
InChIKey DNKXMLRXBJGINR-BZLDKRAPSA-N
Molecular Weight 364.401 g/mol
SMILES N1[C@@]([C@]2([C@@]([C@@]1(C(=O)OC)C)(C(N(C2=O)c1ccccc1)=O)[H])[H])(c1ccccc1)[H]
SPLASH splash10-052f-0905000000-f63919b64d42d0552402
Source of Spectrum KC-1984-46-0
Wiley ID 1350851