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Methyl 2-chloro-4-(trifluoromethyl)nicotinate
SpectraBase Compound ID 7iAMlZ3P6VA
InChI InChI=1S/C8H5ClF3NO2/c1-15-7(14)5-4(8(10,11)12)2-3-13-6(5)9/h2-3H,1H3
InChIKey FDASGHWJBUNFFL-UHFFFAOYSA-N
Mol Weight 239.58 g/mol
Molecular Formula C8H5ClF3NO2
Exact Mass 238.996091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9jpHf5pLTsW
Name Methyl 2-chloro-4-(trifluoromethyl)nicotinate
Alternate Name(s) 2-Chloro-4-(trifluoromethyl)-3-pyridinecarboxylic acid methyl ester Methyl 2-chloro-4-(trifluoromethyl)pyridine-3-carboxylate Methyl 2-chloranyl-4-(trifluoromethyl)pyridine-3-carboxylate
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Formula C8H5ClF3NO2
InChI InChI=1S/C8H5ClF3NO2/c1-15-7(14)5-4(8(10,11)12)2-3-13-6(5)9/h2-3H,1H3
InChIKey FDASGHWJBUNFFL-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol501967c
Molecular Weight 239.581 g/mol
SMILES c1c(c(C(OC)=O)c(nc1)Cl)C(F)(F)F
SPLASH splash10-0a4i-0190000000-905ecfd8fb1b4806fa1d
Source of Spectrum A1-16-4268/SMS27-4h
Wiley ID 1751141