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3-Cyano-4,5-dimethyl-2-trifluoroacetylamino-1-phenylpyrrole
SpectraBase Compound ID JqX0Puaqrfw
InChI InChI=1S/C15H12F3N3O/c1-9-10(2)21(11-6-4-3-5-7-11)13(12(9)8-19)20-14(22)15(16,17)18/h3-7H,1-2H3,(H,20,22)
InChIKey NQUGPPAOHAZQSB-UHFFFAOYSA-N
Mol Weight 307.28 g/mol
Molecular Formula C15H12F3N3O
Exact Mass 307.093247 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FiBuIydbzfG
Name 3-Cyano-4,5-dimethyl-2-trifluoroacetylamino-1-phenylpyrrole
Comments Less than 3 mono-isotopic peaks
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Formula C15H12F3N3O
InChI InChI=1S/C15H12F3N3O/c1-9-10(2)21(11-6-4-3-5-7-11)13(12(9)8-19)20-14(22)15(16,17)18/h3-7H,1-2H3,(H,20,22)
InChIKey NQUGPPAOHAZQSB-UHFFFAOYSA-N
Molecular Weight 307.276 g/mol
SMILES N(c1[n](c(c(c1C#N)C)C)-c1ccccc1)C(=O)C(F)(F)F
SPLASH splash10-08fr-0096000000-96a5e7f82eb8d64de311
Source of Spectrum SO-0-102-1
Synonyms N-(3-cyano-4,5-dimethyl-1-phenyl-1H-pyrrol-2-yl)-2,2,2-trifluoroacetamide
Wiley ID 1538423