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Ethyl 8-[(1E)-3-tert-Butyloxy-3-oxoprop-1-enyl]-4-methyl-2-{[(trifluoromethyl)sulfonyl]oxy}-6-quinolinecarboxylate
SpectraBase Compound ID 5EWSl9Pygsc
InChI InChI=1S/C21H22F3NO7S/c1-6-30-19(27)14-10-13(7-8-17(26)31-20(3,4)5)18-15(11-14)12(2)9-16(25-18)32-33(28,29)21(22,23)24/h7-11H,6H2,1-5H3/b8-7+
InChIKey ZGTGEAVEODKNFQ-BQYQJAHWSA-N
Mol Weight 489.46 g/mol
Molecular Formula C21H22F3NO7S
Exact Mass 489.106908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A2Vj695xh65
Name Ethyl 8-[(1E)-3-tert-Butyloxy-3-oxoprop-1-enyl]-4-methyl-2-{[(trifluoromethyl)sulfonyl]oxy}-6-quinolinecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22F3NO7S
InChI InChI=1S/C21H22F3NO7S/c1-6-30-19(27)14-10-13(7-8-17(26)31-20(3,4)5)18-15(11-14)12(2)9-16(25-18)32-33(28,29)21(22,23)24/h7-11H,6H2,1-5H3/b8-7+
InChIKey ZGTGEAVEODKNFQ-BQYQJAHWSA-N
Molecular Weight 489.462 g/mol
SMILES c1(nc2c(cc(cc2c(c1)C)C(=O)OCC)\C=C\C(=O)OC(C)(C)C)OS(=O)(=O)C(F)(F)F
SPLASH splash10-0a4i-2090000000-e793c80d9d80b6319dca
Source of Spectrum C5-2003-238-3
Synonyms Ethyl 8-[(1E)-3-tert-butoxy-3-oxo-1-propenyl]-4-methyl-2-{[(trifluoromethyl)sulfonyl]oxy}-6-quinolinecarboxylate
Wiley ID 1615346