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4-tert-Butyl-N-[2,4,6-trioxo-1-(2-phenylethyl)-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide

View entire compound with spectra: 1 MS (GC)

4-tert-Butyl-N-[2,4,6-trioxo-1-(2-phenylethyl)-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
SpectraBase Compound ID IDvRTA3RABB
InChI InChI=1S/C26H25F3N4O4/c1-24(2,3)17-11-9-16(10-12-17)20(34)32-25(26(27,28)29)18-19(30-22(25)36)33(23(37)31-21(18)35)14-13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,30,36)(H,32,34)(H,31,35,37)
InChIKey NYTWYYCTBBJETK-UHFFFAOYSA-N
Mol Weight 514.51 g/mol
Molecular Formula C26H25F3N4O4
Exact Mass 514.18279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BlCUNTzwBfV
Name 4-tert-Butyl-N-[2,4,6-trioxo-1-(2-phenylethyl)-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
Alternate Name(s) Benzamide, 4-(1,1-dimethylethyl)-N-[2,3,4,5,6,7-hexahydro-2,4,6-trioxo-1-(2-phenylethyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidin-5-yl]- 4-tert-Butyl-N-[2,4,6-trioxo-1-(2-phenylethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide 4-tert-Butyl-N-[2,4,6-tris(oxidanylidene)-1-(2-phenylethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
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Formula C26H25F3N4O4
InChI InChI=1S/C26H25F3N4O4/c1-24(2,3)17-11-9-16(10-12-17)20(34)32-25(26(27,28)29)18-19(30-22(25)36)33(23(37)31-21(18)35)14-13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,30,36)(H,32,34)(H,31,35,37)
InChIKey NYTWYYCTBBJETK-UHFFFAOYSA-N
Molecular Weight 514.505 g/mol
SMILES N(C1(C=2C(NC(N(C2NC1=O)CCc1ccccc1)=O)=O)C(F)(F)F)C(=O)c1ccc(cc1)C(C)(C)C
SPLASH splash10-03di-2900000000-7e8e043b29be7e644bba
Source of Spectrum IY-2-5037-7
Wiley ID 1658360