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anti-endo-4-methoxycarbonyl-1,3,3a,4,6,6a-hexahydro-2-(4-methylphenyl)-5-phenyl-2H,5H-pyrrolo[3,4-c]pyrrol-1,3-dione
SpectraBase Compound ID 85coDCvLiNt
InChI InChI=1S/C21H20N2O4/c1-13-8-10-15(11-9-13)23-19(24)16-12-22(14-6-4-3-5-7-14)18(21(26)27-2)17(16)20(23)25/h3-11,16-18H,12H2,1-2H3
InChIKey KTXSTUFUZXOMIO-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 EoU1pcRLNJ7
Name anti-endo-4-methoxycarbonyl-1,3,3a,4,6,6a-hexahydro-2-(4-methylphenyl)-5-phenyl-2H,5H-pyrrolo[3,4-c]pyrrol-1,3-dione
CAS Registry Number 106369-05-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N2O4
InChI InChI=1S/C21H20N2O4/c1-13-8-10-15(11-9-13)23-19(24)16-12-22(14-6-4-3-5-7-14)18(21(26)27-2)17(16)20(23)25/h3-11,16-18H,12H2,1-2H3
InChIKey KTXSTUFUZXOMIO-UHFFFAOYSA-N
Molecular Weight 364.401 g/mol
SMILES C12C(C(=O)N(C2=O)c2ccc(cc2)C)CN(C1C(=O)OC)c1ccccc1
SPLASH splash10-052f-1709000000-12c3886627217009d045
Source of Spectrum AJ-60-4075-4
Synonyms anti-exo-4-methoxycarbonyl-1,3,3a,4,6,6a-hexahydro-2-(4-methylphenyl)-5-phenyl-2H,5H-pyrrolo[3,4-c]pyrrol-1,3-dione Methyl 5-(4-methylphenyl)-4,6-dioxo-2-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate
Wiley ID 1350862