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Ethyl 8-[Hydroxy(4-methoxyphenyl)methyl]-4-methyl-2-{[(trifluoromethyl)sulfonyl]oxy}-6-quinolinecarboxylate
SpectraBase Compound ID 2l2c0oWL9Fw
InChI InChI=1S/C22H20F3NO7S/c1-4-32-21(28)14-10-16-12(2)9-18(33-34(29,30)22(23,24)25)26-19(16)17(11-14)20(27)13-5-7-15(31-3)8-6-13/h5-11,20,27H,4H2,1-3H3
InChIKey JMRLNOUTRGCVSU-UHFFFAOYSA-N
Mol Weight 499.46 g/mol
Molecular Formula C22H20F3NO7S
Exact Mass 499.091258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7hwGS8QhuTw
Name Ethyl 8-[Hydroxy(4-methoxyphenyl)methyl]-4-methyl-2-{[(trifluoromethyl)sulfonyl]oxy}-6-quinolinecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20F3NO7S
InChI InChI=1S/C22H20F3NO7S/c1-4-32-21(28)14-10-16-12(2)9-18(33-34(29,30)22(23,24)25)26-19(16)17(11-14)20(27)13-5-7-15(31-3)8-6-13/h5-11,20,27H,4H2,1-3H3
InChIKey JMRLNOUTRGCVSU-UHFFFAOYSA-N
Molecular Weight 499.457 g/mol
SMILES OC(c1c2nc(OS(C(F)(F)F)(=O)=O)cc(c2cc(C(=O)OCC)c1)C)c1ccc(cc1)OC
SPLASH splash10-0aor-0095000000-a3fcf0c421ccd9aa0d61
Source of Spectrum C5-2003-237-3
Wiley ID 1615350