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4-Fluoro-benzenesulfonic acid 4-(1,3-diethyl-4,6-dioxo-2-thioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-2-methoxy-phenyl ester

View entire compound with spectra: 1 MS (GC)

4-Fluoro-benzenesulfonic acid 4-(1,3-diethyl-4,6-dioxo-2-thioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-2-methoxy-phenyl ester
SpectraBase Compound ID AxU9N6oM30p
InChI InChI=1S/C22H21FN2O6S2/c1-4-24-20(26)17(21(27)25(5-2)22(24)32)12-14-6-11-18(19(13-14)30-3)31-33(28,29)16-9-7-15(23)8-10-16/h6-13H,4-5H2,1-3H3
InChIKey DQPFWIVBFJLSSR-UHFFFAOYSA-N
Mol Weight 492.54 g/mol
Molecular Formula C22H21FN2O6S2
Exact Mass 492.082507 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JpkZOOnpc05
Name 4-Fluoro-benzenesulfonic acid 4-(1,3-diethyl-4,6-dioxo-2-thioxo-tetrahydro-pyrimidin-5-ylidenemethyl)-2-methoxy-phenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21FN2O6S2
InChI InChI=1S/C22H21FN2O6S2/c1-4-24-20(26)17(21(27)25(5-2)22(24)32)12-14-6-11-18(19(13-14)30-3)31-33(28,29)16-9-7-15(23)8-10-16/h6-13H,4-5H2,1-3H3
InChIKey DQPFWIVBFJLSSR-UHFFFAOYSA-N
Molecular Weight 492.536 g/mol
SMILES C1(C(N(CC)C(N(C1=O)CC)=S)=O)=Cc1cc(OC)c(OS(c2ccc(cc2)F)(=O)=O)cc1
SPLASH splash10-0uxv-9420000000-aa7730487d9601d0bbb8
Synonyms 4-[(1,3-diethyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-methoxyphenyl 4-fluorobenzenesulfonate
Wiley ID 1454765