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

*Links on SpectraBase are not permalinks.
Methyl (1S*,3R*,3aS*,6aR*)-3-benzoyl-5-methyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylate
SpectraBase Compound ID BaK40OjeT4X
InChI InChI=1S/C16H16N2O5/c1-18-14(20)9-10(15(18)21)12(16(22)23-2)17-11(9)13(19)8-6-4-3-5-7-8/h3-7,9-12,17H,1-2H3/t9-,10+,11+,12-/m0/s1
InChIKey QBZICLJVZATESS-QCNOEVLYSA-N
Mol Weight 316.31 g/mol
Molecular Formula C16H16N2O5
Exact Mass 316.105922 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 Gf6R5l0wELs
Name Methyl (1S*,3R*,3aS*,6aR*)-3-benzoyl-5-methyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylate
Alternate Name(s) Methyl (1S,3R,3aS,6aR)-3-benzoyl-5-methyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O5
InChI InChI=1S/C16H16N2O5/c1-18-14(20)9-10(15(18)21)12(16(22)23-2)17-11(9)13(19)8-6-4-3-5-7-8/h3-7,9-12,17H,1-2H3/t9-,10+,11+,12-/m0/s1
InChIKey QBZICLJVZATESS-QCNOEVLYSA-N
Literature Reference DOI 10.1016/j.tet.2015.09.039
Molecular Weight 316.313 g/mol
SMILES N1[C@@]([C@]2([C@@]([C@@]1(C(=O)c1ccccc1)[H])(C(N(C2=O)C)=O)[H])[H])(C(=O)OC)[H]
SPLASH splash10-03di-3390000000-e003fc2b2b5db34014c5
Source of Spectrum F-71-8815-endo_cis_9a
Wiley ID 1803241