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1-Methyl-4-phenyl-6-[4-(trifluoromethoxy)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
SpectraBase Compound ID 3tWEggo1CSb
InChI InChI=1S/C20H16F3N3O3/c1-25-15-11-26(13-7-9-14(10-8-13)29-20(21,22)23)18(27)16(15)17(24-19(25)28)12-5-3-2-4-6-12/h2-10,17H,11H2,1H3,(H,24,28)
InChIKey SJLBRIQQSJBMLP-UHFFFAOYSA-N
Mol Weight 403.36 g/mol
Molecular Formula C20H16F3N3O3
Exact Mass 403.114376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LvRCe2YrQGn
Name 1-Methyl-4-phenyl-6-[4-(trifluoromethoxy)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Alternate Name(s) 1-Methyl-4-phenyl-6-[4-(trifluoromethoxy)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-quinone 1-Methyl-4-phenyl-6-[4-(trifluoromethyloxy)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
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Formula C20H16F3N3O3
InChI InChI=1S/C20H16F3N3O3/c1-25-15-11-26(13-7-9-14(10-8-13)29-20(21,22)23)18(27)16(15)17(24-19(25)28)12-5-3-2-4-6-12/h2-10,17H,11H2,1H3,(H,24,28)
InChIKey SJLBRIQQSJBMLP-UHFFFAOYSA-N
Molecular Weight 403.361 g/mol
SMILES N1C(C2=C(N(C1=O)C)CN(C2=O)c1ccc(cc1)OC(F)(F)F)c1ccccc1
SPLASH splash10-0fb9-9824200000-cf71f477ef791e7b89ad
Wiley ID 1445528