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4-(4-FLUORO-3-(2-METHOXY-7-METHYLIMIDAZO-[5,1-C]-PYRIDO-[2,3-E]-[1,2,4]-TRIAZINE-9-YL)-PHENOXY)-BUTYL-4-METHYLBENZENESULFONATE

View entire compound with spectra: 1 NMR

4-(4-FLUORO-3-(2-METHOXY-7-METHYLIMIDAZO-[5,1-C]-PYRIDO-[2,3-E]-[1,2,4]-TRIAZINE-9-YL)-PHENOXY)-BUTYL-4-METHYLBENZENESULFONATE
SpectraBase Compound ID FxaOuFGoyPq
InChI InChI=1S/C27H26FN5O5S/c1-17-6-9-20(10-7-17)39(34,35)38-15-5-4-14-37-19-8-11-22(28)21(16-19)26-29-18(2)25-32-31-23-12-13-24(36-3)30-27(23)33(25)26/h6-13,16H,4-5,14-15H2,1-3H3
InChIKey UNAIJXFNQNSWOG-UHFFFAOYSA-N
Mol Weight 551.59 g/mol
Molecular Formula C27H26FN5O5S
Exact Mass 551.163868 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HZ7LJRS1Dng
Name 4-(4-FLUORO-3-(2-METHOXY-7-METHYLIMIDAZO-[5,1-C]-PYRIDO-[2,3-E]-[1,2,4]-TRIAZINE-9-YL)-PHENOXY)-BUTYL-4-METHYLBENZENESULFONATE
Compound Number TA4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H26FN5O5S
InChI InChI=1S/C27H26FN5O5S/c1-17-6-9-20(10-7-17)39(34,35)38-15-5-4-14-37-19-8-11-22(28)21(16-19)26-29-18(2)25-32-31-23-12-13-24(36-3)30-27(23)33(25)26/h6-13,16H,4-5,14-15H2,1-3H3
InChIKey UNAIJXFNQNSWOG-UHFFFAOYSA-N
Literature Reference Author S.SCHROEDER,B.WENZEL,W.DEUTHER-CONRAD,R.TEODORO,U.EGERLAND,M .KRANZ,M.SCHEUNEMANN
Literature Reference Citation MOLECULES,20,9591(2015)
Literature Reference DOI 10.3390/molecules20069591
Solvent DMSO-D6
Source File Reference UWPA3292