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Ethyl (1S,3R,3aS,6aR)-5-methyl-3-phenyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylate

View entire compound with spectra: 1 MS (GC)

Ethyl (1S,3R,3aS,6aR)-5-methyl-3-phenyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylate
SpectraBase Compound ID 1K66JBCM1z7
InChI InChI=1S/C16H18N2O4/c1-3-22-16(21)13-11-10(14(19)18(2)15(11)20)12(17-13)9-7-5-4-6-8-9/h4-8,10-13,17H,3H2,1-2H3/t10-,11+,12-,13-/m0/s1
InChIKey CZTHKXMPQMOFJG-RNJOBUHISA-N
Mol Weight 302.33 g/mol
Molecular Formula C16H18N2O4
Exact Mass 302.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9SWtLjT71GE
Name Ethyl (1S,3R,3aS,6aR)-5-methyl-3-phenyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2O4
InChI InChI=1S/C16H18N2O4/c1-3-22-16(21)13-11-10(14(19)18(2)15(11)20)12(17-13)9-7-5-4-6-8-9/h4-8,10-13,17H,3H2,1-2H3/t10-,11+,12-,13-/m0/s1
InChIKey CZTHKXMPQMOFJG-RNJOBUHISA-N
Molecular Weight 302.330 g/mol
SMILES N1[C@]([C@@]2([C@]([C@]1(C(=O)OCC)[H])(C(N(C2=O)C)=O)[H])[H])(c1ccccc1)[H]
SPLASH splash10-004l-0980000000-84d55ae21743c5f7755a
Source of Spectrum QC-19-2921-12ab
Wiley ID 1687916