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4-[4-methyl-6-(trifluoromethyl)-2-(trifluoromethylsulfonyloxy)-8-quinolinyl]benzoic acid ethyl ester
SpectraBase Compound ID 9xO6HOTGzcD
InChI InChI=1S/C21H15F6NO5S/c1-3-32-19(29)13-6-4-12(5-7-13)16-10-14(20(22,23)24)9-15-11(2)8-17(28-18(15)16)33-34(30,31)21(25,26)27/h4-10H,3H2,1-2H3
InChIKey USLMUSBQHGCMJB-UHFFFAOYSA-N
Mol Weight 507.4 g/mol
Molecular Formula C21H15F6NO5S
Exact Mass 507.057513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CV0cZuUi9Yj
Name 4-[4-methyl-6-(trifluoromethyl)-2-(trifluoromethylsulfonyloxy)-8-quinolinyl]benzoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15F6NO5S
InChI InChI=1S/C21H15F6NO5S/c1-3-32-19(29)13-6-4-12(5-7-13)16-10-14(20(22,23)24)9-15-11(2)8-17(28-18(15)16)33-34(30,31)21(25,26)27/h4-10H,3H2,1-2H3
InChIKey USLMUSBQHGCMJB-UHFFFAOYSA-N
Molecular Weight 507.403 g/mol
SMILES C(S(Oc1nc2c(cc(C(F)(F)F)cc2c(c1)C)-c1ccc(C(=O)OCC)cc1)(=O)=O)(F)(F)F
SPLASH splash10-0f6x-0009000000-8dc4bab08a478dbf2710
Source of Spectrum C5-2003-239-3
Synonyms 4-[4-methyl-6-(trifluoromethyl)-2-triflyloxy-8-quinolyl]benzoic acid ethyl ester Ethyl 4-[4-methyl-6-(trifluoromethyl)-2-(trifluoromethylsulfonyloxy)-8-quinolyl]benzoate Ethyl 4-[4-methyl-6-(trifluoromethyl)-2-(trifluoromethylsulfonyloxy)quinolin-8-yl]benzoate
Wiley ID 1615343