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Pyrrolo[3,4-c]pyrrole-1-carboxylic acid, octahydro-1-methyl-4,6-dioxo-5-phenyl-3-[4-(trifluoromethyl)phenyl]-, methyl ester, (1.alpha.,3.alpha.,3a.beta.,6a.beta.)-
SpectraBase Compound ID GfBpuajPx6E
InChI InChI=1S/C22H19F3N2O4/c1-21(20(30)31-2)16-15(18(28)27(19(16)29)14-6-4-3-5-7-14)17(26-21)12-8-10-13(11-9-12)22(23,24)25/h3-11,15-17,26H,1-2H3/t15-,16-,17-,21-/m1/s1
InChIKey CNPFCKCIWHITKB-BZLDKRAPSA-N
Mol Weight 432.4 g/mol
Molecular Formula C22H19F3N2O4
Exact Mass 432.129692 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8lNxe7n8keL
Name Pyrrolo[3,4-c]pyrrole-1-carboxylic acid, octahydro-1-methyl-4,6-dioxo-5-phenyl-3-[4-(trifluoromethyl)phenyl]-, methyl ester, (1.alpha.,3.alpha.,3a.beta.,6a.beta.)-
CAS Registry Number 89902-60-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19F3N2O4
InChI InChI=1S/C22H19F3N2O4/c1-21(20(30)31-2)16-15(18(28)27(19(16)29)14-6-4-3-5-7-14)17(26-21)12-8-10-13(11-9-12)22(23,24)25/h3-11,15-17,26H,1-2H3/t15-,16-,17-,21-/m1/s1
InChIKey CNPFCKCIWHITKB-BZLDKRAPSA-N
Molecular Weight 432.399 g/mol
SMILES N1[C@@]([C@]2([C@@]([C@@]1(C(=O)OC)C)(C(N(C2=O)c1ccccc1)=O)[H])[H])(c1ccc(C(F)(F)F)cc1)[H]
SPLASH splash10-05fs-0589000000-38e316901e5e3e9239d1
Source of Spectrum KC-1984-46-0
Synonyms Methyl (1R,3S,3aR,6aS)-1-methyl-4,6-dioxo-5-phenyl-3-[4-(trifluoromethyl)phenyl]octahydropyrrolo[3,4-c]pyrrole-1-carboxylate Methyl c-4-(4-trifluoromethylphenyl)-2-methyl-7-phenyl-6,8-dioxo-3,7-diazabicyclo[3.3.0]octane-r-2-carboxylate Methyl c-4-(4-trifluoromethylphenyl)-2-methyl-7-phenyl-6,8-dioxo-3,7-diazobicylcoo[3.3.0]octane-r-2-carboxylate
Wiley ID 1382184