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2-Phenoxy-N-[2,4,6-triketo-1,3-dimethyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide
SpectraBase Compound ID 8ZXM0W58Jys
InChI InChI=1S/C17H15F3N4O5/c1-23-12-11(13(26)24(2)15(23)28)16(14(27)21-12,17(18,19)20)22-10(25)8-29-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,21,27)(H,22,25)
InChIKey JMCQYKKPSIQWSB-UHFFFAOYSA-N
Mol Weight 412.33 g/mol
Molecular Formula C17H15F3N4O5
Exact Mass 412.099454 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Epg0YpAzbFq
Name 2-Phenoxy-N-[2,4,6-triketo-1,3-dimethyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15F3N4O5
InChI InChI=1S/C17H15F3N4O5/c1-23-12-11(13(26)24(2)15(23)28)16(14(27)21-12,17(18,19)20)22-10(25)8-29-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,21,27)(H,22,25)
InChIKey JMCQYKKPSIQWSB-UHFFFAOYSA-N
Molecular Weight 412.325 g/mol
SMILES N1C(C(C2=C1N(C)C(N(C2=O)C)=O)(C(F)(F)F)NC(=O)COc1ccccc1)=O
SPLASH splash10-0bvi-9650000000-dd9443ccb8aeb59e17fb
Synonyms N-[1,3-dimethyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-phenoxy-acetamide N-[1,3-dimethyl-2,4,6-tris(oxidanylidene)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-phenoxy-ethanamide
Wiley ID 1443765