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Pyrrolo[3,4-c]pyrrole-1-carboxylic acid, 1,3a,4,5,6,6a-hexahydro-1-methyl-4,6-dioxo-3,5-diphenyl-, methyl ester, (1.alpha.,3a.beta.,6a.beta.)-
SpectraBase Compound ID 6OJovX1dVXc
InChI InChI=1S/C21H18N2O4/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/h3-12,15-16H,1-2H3
InChIKey WCNBFCFUXBZCSM-UHFFFAOYSA-N
Mol Weight 362.39 g/mol
Molecular Formula C21H18N2O4
Exact Mass 362.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 93zUX5xWXJD
Name Pyrrolo[3,4-c]pyrrole-1-carboxylic acid, 1,3a,4,5,6,6a-hexahydro-1-methyl-4,6-dioxo-3,5-diphenyl-, methyl ester, (1.alpha.,3a.beta.,6a.beta.)-
CAS Registry Number 113371-21-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N2O4
InChI InChI=1S/C21H18N2O4/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/h3-12,15-16H,1-2H3
InChIKey WCNBFCFUXBZCSM-UHFFFAOYSA-N
Molecular Weight 362.385 g/mol
SMILES C12C(C(=O)N(C2=O)c2ccccc2)C(c2ccccc2)=NC1(C(=O)OC)C
SPLASH splash10-0udi-0009000000-9f643f8027d815686ba5
Source of Spectrum KC-1987-2295-33
Synonyms methyl 1-methyl-4,6-dioxo-3,5-diphenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole-1-carboxylate Methyl 2-methyl-6,8-dioxo-4,7-diphenyl-3,7-diazabicyclo[3.3.0]oct-3-ene-2-carboxylate
Wiley ID 1349680