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Pyrrolo[3,4-c]pyrrole-1-carboxylic acid, octahydro-1,5-dimethyl-4,6-dioxo-3-phenyl-, methyl ester, (1.alpha.,3.alpha.,3a.beta.,6a.beta.)-(.+-.)-
SpectraBase Compound ID ECLaLCmMnCA
InChI InChI=1S/C16H18N2O4/c1-16(15(21)22-3)11-10(13(19)18(2)14(11)20)12(17-16)9-7-5-4-6-8-9/h4-8,10-12,17H,1-3H3/t10-,11-,12-,16-/m1/s1
InChIKey APTLLSZHSRSNDS-DSZLRUIBSA-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 GsfeDqvSTUg
Name Pyrrolo[3,4-c]pyrrole-1-carboxylic acid, octahydro-1,5-dimethyl-4,6-dioxo-3-phenyl-, methyl ester, (1.alpha.,3.alpha.,3a.beta.,6a.beta.)-(.+-.)-
Alternate Name(s) 3,7-Diaza-6-phenyl-8-methoxycarbonyl-8-methyl-bicyclo[3.3.0]octa-2,4-dione Methyl (1R,3S,3aR,6aS)-1,5-dimethyl-4,6-dioxo-3-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate
CAS Registry Number 113273-75-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2O4
InChI InChI=1S/C16H18N2O4/c1-16(15(21)22-3)11-10(13(19)18(2)14(11)20)12(17-16)9-7-5-4-6-8-9/h4-8,10-12,17H,1-3H3/t10-,11-,12-,16-/m1/s1
InChIKey APTLLSZHSRSNDS-DSZLRUIBSA-N
Molecular Weight 302.330 g/mol
SMILES N1[C@@]([C@]2([C@@]([C@@]1(C(=O)OC)C)(C(N(C2=O)C)=O)[H])[H])(c1ccccc1)[H]
SPLASH splash10-0006-1960000000-4c45c95c2c12886db2cc
Source of Spectrum J-53-1389-3
Wiley ID 1304559