For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Pyrrolo[3,4-c]pyrrole-1-carboxylic acid, 1,3a,4,5,6,6a-hexahydro-4,6-dioxo-3,5-diphenyl-, ethyl ester, (1.alpha.,3a.beta.,6a.beta.)-(.+-.)-
SpectraBase Compound ID IxbZF0pfg7i
InChI InChI=1S/C21H18N2O4/c1-2-27-21(26)18-16-15(17(22-18)13-9-5-3-6-10-13)19(24)23(20(16)25)14-11-7-4-8-12-14/h3-12,15-16,18H,2H2,1H3
InChIKey HBMNTVBYLXXLRE-UHFFFAOYSA-N
Mol Weight 362.39 g/mol
Molecular Formula C21H18N2O4
Exact Mass 362.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 204yxad7bd
Name Pyrrolo[3,4-c]pyrrole-1-carboxylic acid, 1,3a,4,5,6,6a-hexahydro-4,6-dioxo-3,5-diphenyl-, ethyl ester, (1.alpha.,3a.beta.,6a.beta.)-(.+-.)-
CAS Registry Number 113371-31-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N2O4
InChI InChI=1S/C21H18N2O4/c1-2-27-21(26)18-16-15(17(22-18)13-9-5-3-6-10-13)19(24)23(20(16)25)14-11-7-4-8-12-14/h3-12,15-16,18H,2H2,1H3
InChIKey HBMNTVBYLXXLRE-UHFFFAOYSA-N
Molecular Weight 362.385 g/mol
SMILES C12C(C(=O)N(C2=O)c2ccccc2)C(C(=O)OCC)N=C1c1ccccc1
SPLASH splash10-000i-0092000000-2c56ff6b144fc1e2fcc3
Source of Spectrum KC-1987-2296-33
Synonyms ethyl 4,6-dioxo-3,5-diphenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole-1-carboxylate Ethyl 6,8-dioxo-4,7-diphenyl-3,7-diazabicyclo[3.3.0]oct-3-ene-2-carboxylate
Wiley ID 1349681