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Ethyl 1,3a,4,6,6a-hexahydro-4,6-dioxo-3,5-diphenylpyrrolo[3,4-c]pyrrole-1-carboxylate isomer
SpectraBase Compound ID EJMjK2oj5Dc
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/t15-,16+,18-/m0/s1
InChIKey HBMNTVBYLXXLRE-JZXOWHBKSA-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 8oHbe3pKmjg
Name Ethyl 1,3a,4,6,6a-hexahydro-4,6-dioxo-3,5-diphenylpyrrolo[3,4-c]pyrrole-1-carboxylate isomer
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/t15-,16+,18-/m0/s1
InChIKey HBMNTVBYLXXLRE-JZXOWHBKSA-N
Molecular Weight 362.385 g/mol
SMILES [C@@]12([C@@](C(=O)N(C2=O)c2ccccc2)([C@](C(=O)OCC)([H])N=C1c1ccccc1)[H])[H]
SPLASH splash10-001i-0090000000-77f8030bf38ccaf1b3ff
Source of Spectrum CV-0-159-4
Wiley ID 849180