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5-Cyano-4-methyl-6-oxo-1-(3-trifluoromethyl-phenyl)-1,6-dihydro-pyridazine-3-carboxylic acid
SpectraBase Compound ID 6WLLpBln34v
InChI InChI=1S/C14H8F3N3O3/c1-7-10(6-18)12(21)20(19-11(7)13(22)23)9-4-2-3-8(5-9)14(15,16)17/h2-5H,1H3,(H,22,23)
InChIKey WJWXCCGKESEFGQ-UHFFFAOYSA-N
Mol Weight 323.23 g/mol
Molecular Formula C14H8F3N3O3
Exact Mass 323.051776 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C1sqi2mzweh
Name 5-Cyano-4-methyl-6-oxo-1-(3-trifluoromethyl-phenyl)-1,6-dihydro-pyridazine-3-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H8F3N3O3
InChI InChI=1S/C14H8F3N3O3/c1-7-10(6-18)12(21)20(19-11(7)13(22)23)9-4-2-3-8(5-9)14(15,16)17/h2-5H,1H3,(H,22,23)
InChIKey WJWXCCGKESEFGQ-UHFFFAOYSA-N
Molecular Weight 323.231 g/mol
SMILES OC(C=1C(=C(C(N(N1)c1cc(C(F)(F)F)ccc1)=O)C#N)C)=O
SPLASH splash10-0002-6911000000-686bc807fba2244eff8f
Synonyms 5-cyano-4-methyl-6-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid 5-cyano-4-methyl-6-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridazinecarboxylic acid 5-cyano-4-methyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid 5-cyano-6-keto-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid
Wiley ID 1442932