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Pyrrolo[3,4-c]pyrrole-1-carboxylic acid, 3-benzoyloctahydro-5-methyl-4,6-dioxo-, methyl ester, (1.alpha.,3.alpha.,3a.beta.,6a.beta.)-
SpectraBase Compound ID Eg0na2vK7GZ
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-/m1/s1
InChIKey QBZICLJVZATESS-NOOOWODRSA-N
Mol Weight 316.31 g/mol
Molecular Formula C16H16N2O5
Exact Mass 316.105922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BMk0SknNN8t
Name Pyrrolo[3,4-c]pyrrole-1-carboxylic acid, 3-benzoyloctahydro-5-methyl-4,6-dioxo-, methyl ester, (1.alpha.,3.alpha.,3a.beta.,6a.beta.)-
CAS Registry Number 111120-70-8
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-/m1/s1
InChIKey QBZICLJVZATESS-NOOOWODRSA-N
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 splash10-01r6-9540000000-f0ad510184ee04efb2ba
Source of Spectrum AJ-60-4073-19
Synonyms Methyl (1R,3S,3aR,6aS)-3-benzoyl-5-methyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylate syn-endo-1,3,3a,4,6,6a-hexahydro-4-methoxycarbonyl-2-methyl-6-benzoylpyrrolo[3,4-c]pyrrol-1,3-dione
Wiley ID 1316587