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N-[1-(4-chlorophenyl)-2,4,6-triketo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide
SpectraBase Compound ID Hi4abt7n0MZ
InChI InChI=1S/C15H10ClF3N4O4/c1-6(24)22-14(15(17,18)19)9-10(20-12(14)26)23(13(27)21-11(9)25)8-4-2-7(16)3-5-8/h2-5H,1H3,(H,20,26)(H,22,24)(H,21,25,27)
InChIKey GNFVDDCKSJWDCS-UHFFFAOYSA-N
Mol Weight 402.72 g/mol
Molecular Formula C15H10ClF3N4O4
Exact Mass 402.034267 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0y2OFpmhdI
Name N-[1-(4-chlorophenyl)-2,4,6-triketo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide
Alternate Name(s) N-[1-(4-chlorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide N-[1-(4-chlorophenyl)-2,4,6-tris(oxidanylidene)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H10ClF3N4O4
InChI InChI=1S/C15H10ClF3N4O4/c1-6(24)22-14(15(17,18)19)9-10(20-12(14)26)23(13(27)21-11(9)25)8-4-2-7(16)3-5-8/h2-5H,1H3,(H,20,26)(H,22,24)(H,21,25,27)
InChIKey GNFVDDCKSJWDCS-UHFFFAOYSA-N
Molecular Weight 402.717 g/mol
SMILES N1C(C(C2=C1N(C(NC2=O)=O)c1ccc(cc1)Cl)(C(F)(F)F)NC(=O)C)=O
SPLASH splash10-0006-6790000000-f1e316ce4901d9f6d6e4
Wiley ID 1443125