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1H-Pyrrole-3-carbonitrile, 4-[(5-chloro-2-pyridinyl)amino]-4,5-dihydro-2-methyl-5-oxo-4-(trifluoromethyl)-
SpectraBase Compound ID 7Hkxt6CDhe4
InChI InChI=1S/C12H8ClF3N4O/c1-6-8(4-17)11(10(21)19-6,12(14,15)16)20-9-3-2-7(13)5-18-9/h2-3,5H,1H3,(H,18,20)(H,19,21)
InChIKey BMUWLHZLNFHEBV-UHFFFAOYSA-N
Mol Weight 316.67 g/mol
Molecular Formula C12H8ClF3N4O
Exact Mass 316.033873 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LtLDDYHciZs
Name 1H-Pyrrole-3-carbonitrile, 4-[(5-chloro-2-pyridinyl)amino]-4,5-dihydro-2-methyl-5-oxo-4-(trifluoromethyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8ClF3N4O
InChI InChI=1S/C12H8ClF3N4O/c1-6-8(4-17)11(10(21)19-6,12(14,15)16)20-9-3-2-7(13)5-18-9/h2-3,5H,1H3,(H,18,20)(H,19,21)
InChIKey BMUWLHZLNFHEBV-UHFFFAOYSA-N
Molecular Weight 316.671 g/mol
SMILES N1C(C(C(=C1C)C#N)(C(F)(F)F)Nc1ccc(cn1)Cl)=O
SPLASH splash10-01r5-8961000000-0fe471cb229fc7e480ee
Source of Spectrum IY-1-4519-1
Synonyms 4-[(5-chloro-2-pyridinyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile 4-[(5-chloropyridin-2-yl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile 4-[(5-chloro-2-pyridyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile 4-[(5-chloranylpyridin-2-yl)amino]-2-methyl-5-oxidanylidene-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile
Wiley ID 1653174