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1-Quinolineacetic acid, 1,2-dihydro-2,2,4,7-tetramethyl-.alpha.-(trichloromethyl)-, phenyl ester
SpectraBase Compound ID B20oJJW3YHw
InChI InChI=1S/C22H22Cl3NO2/c1-14-10-11-17-15(2)13-21(3,4)26(18(17)12-14)19(22(23,24)25)20(27)28-16-8-6-5-7-9-16/h5-13,19H,1-4H3
InChIKey CVWKXUHVOGTPHL-UHFFFAOYSA-N
Mol Weight 438.78 g/mol
Molecular Formula C22H22Cl3NO2
Exact Mass 437.071612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BxmvGmACGCf
Name 1-Quinolineacetic acid, 1,2-dihydro-2,2,4,7-tetramethyl-.alpha.-(trichloromethyl)-, phenyl ester
Alternate Name(s) 3,3,3-trichloro-2-(2,2,4,7-tetramethyl-1-quinolinyl)propanoic acid phenyl ester phenyl 3,3,3-trichloro-2-(2,2,4,7-tetramethylquinolin-1-yl)propanoate phenyl 3,3,3-trichloro-2-(2,2,4,7-tetramethyl-1-quinolyl)propanoate phenyl 3,3,3-tris(chloranyl)-2-(2,2,4,7-tetramethylquinolin-1-yl)propanoate
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Formula C22H22Cl3NO2
InChI InChI=1S/C22H22Cl3NO2/c1-14-10-11-17-15(2)13-21(3,4)26(18(17)12-14)19(22(23,24)25)20(27)28-16-8-6-5-7-9-16/h5-13,19H,1-4H3
InChIKey CVWKXUHVOGTPHL-UHFFFAOYSA-N
Molecular Weight 438.782 g/mol
SMILES c1ccc(OC(C(N2c3c(ccc(c3)C)C(=CC2(C)C)C)C(Cl)(Cl)Cl)=O)cc1
SPLASH splash10-00di-1230900000-6aad42e906cd10347da2
Source of Spectrum IY-1-4609-2
Wiley ID 1654075