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Benzamide, N-[2,3,4,5,6,7-hexahydro-1-methyl-2,4,6-trioxo-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-nitro-
SpectraBase Compound ID LeXFjRm29yJ
InChI InChI=1S/C15H10F3N5O6/c1-22-9-8(11(25)20-13(22)27)14(12(26)19-9,15(16,17)18)21-10(24)6-3-2-4-7(5-6)23(28)29/h2-5H,1H3,(H,19,26)(H,21,24)(H,20,25,27)
InChIKey INXIGLRRBPJKMO-UHFFFAOYSA-N
Mol Weight 413.27 g/mol
Molecular Formula C15H10F3N5O6
Exact Mass 413.058318 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HxNfb0ZTpeV
Name Benzamide, N-[2,3,4,5,6,7-hexahydro-1-methyl-2,4,6-trioxo-5-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-nitro-
Alternate Name(s) N-[1-methyl-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-nitrobenzamide N-[1-methyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-nitrobenzamide N-[1-methyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-nitro-benzamide N-[1-methyl-2,4,6-tris(oxidanylidene)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-nitro-benzamide
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Formula C15H10F3N5O6
InChI InChI=1S/C15H10F3N5O6/c1-22-9-8(11(25)20-13(22)27)14(12(26)19-9,15(16,17)18)21-10(24)6-3-2-4-7(5-6)23(28)29/h2-5H,1H3,(H,19,26)(H,21,24)(H,20,25,27)
InChIKey INXIGLRRBPJKMO-UHFFFAOYSA-N
Molecular Weight 413.269 g/mol
SMILES N(C1(C=2C(NC(N(C2NC1=O)C)=O)=O)C(F)(F)F)C(=O)c1cc(ccc1)N(=O)=O
SPLASH splash10-0udi-5901000000-37a7e449fc7882a5787b
Source of Spectrum IY-2-5022-8
Wiley ID 1658211