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(1S,3R,3aS,6aR)-4,6-diketo-5-methyl-1-phenyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid methyl ester

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(1S,3R,3aS,6aR)-4,6-diketo-5-methyl-1-phenyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid methyl ester
SpectraBase Compound ID GKz4dVyRaeg
InChI InChI=1S/C15H16N2O4/c1-17-13(18)9-10(14(17)19)12(15(20)21-2)16-11(9)8-6-4-3-5-7-8/h3-7,9-12,16H,1-2H3/t9-,10+,11-,12-/m1/s1
InChIKey SKWRAVHLLXCAKB-WRWGMCAJSA-N
Mol Weight 288.3 g/mol
Molecular Formula C15H16N2O4
Exact Mass 288.111007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IJKHJmJrJ1O
Name (1S,3R,3aS,6aR)-4,6-diketo-5-methyl-1-phenyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid methyl ester
CAS Registry Number 113349-48-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N2O4
InChI InChI=1S/C15H16N2O4/c1-17-13(18)9-10(14(17)19)12(15(20)21-2)16-11(9)8-6-4-3-5-7-8/h3-7,9-12,16H,1-2H3/t9-,10+,11-,12-/m1/s1
InChIKey SKWRAVHLLXCAKB-WRWGMCAJSA-N
Molecular Weight 288.303 g/mol
SMILES N1[C@@]([C@]2([C@@]([C@@]1(C(=O)OC)[H])(C(N(C2=O)C)=O)[H])[H])(c1ccccc1)[H]
SPLASH splash10-016u-0920000000-8676c3a3fea2f6017d14
Source of Spectrum J-53-1388-2
Synonyms (1S,3R,3aS,6aR)-5-methyl-4,6-dioxo-1-phenyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid methyl ester Methyl (1S,3R,3aS,6aR)-5-methyl-4,6-bis(oxidanylidene)-1-phenyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylate Methyl (1S,3R,3aS,6aR)-5-methyl-4,6-dioxo-1-phenyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylate
Wiley ID 1291586