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3-[4-methoxy-2-(trifluoromethyl)-6-quinolyl]prop-2-ynyl N-(3-chlorophenyl)carbamate
SpectraBase Compound ID 9ZLDhoEjeQj
InChI InChI=1S/C21H14ClF3N2O3/c1-29-18-12-19(21(23,24)25)27-17-8-7-13(10-16(17)18)4-3-9-30-20(28)26-15-6-2-5-14(22)11-15/h2,5-8,10-12H,9H2,1H3,(H,26,28)
InChIKey FQQWMDUBBKAWBZ-UHFFFAOYSA-N
Mol Weight 434.8 g/mol
Molecular Formula C21H14ClF3N2O3
Exact Mass 434.064505 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DHdgiKBbP0L
Name 3-[4-methoxy-2-(trifluoromethyl)-6-quinolyl]prop-2-ynyl N-(3-chlorophenyl)carbamate
Alternate Name(s) 3-[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]prop-2-ynyl N-(3-chlorophenyl)carbamate N-(3-chlorophenyl)carbamic acid 3-[4-methoxy-2-(trifluoromethyl)-6-quinolinyl]prop-2-ynyl ester N-(3-chlorophenyl)carbamic acid 3-[4-methoxy-2-(trifluoromethyl)-6-quinolyl]prop-2-ynyl ester
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Formula C21H14ClF3N2O3
InChI InChI=1S/C21H14ClF3N2O3/c1-29-18-12-19(21(23,24)25)27-17-8-7-13(10-16(17)18)4-3-9-30-20(28)26-15-6-2-5-14(22)11-15/h2,5-8,10-12H,9H2,1H3,(H,26,28)
InChIKey FQQWMDUBBKAWBZ-UHFFFAOYSA-N
Molecular Weight 434.802 g/mol
SMILES N(C(OCC#Cc1ccc2c(c1)c(cc(n2)C(F)(F)F)OC)=O)c1cc(Cl)ccc1
SPLASH splash10-0il0-5690000000-f37bf41a1cd2fbd42e54
Wiley ID 1447004