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4-azido-2,3,5,6-tetrafluoro-benzoic acid [4-keto-4-(2-pyridylmethylamino)-3-[[2-(tetrahydropyran-2-ylthio)acetyl]amino]butyl] ester

View entire compound with spectra: 2 NMR

4-azido-2,3,5,6-tetrafluoro-benzoic acid [4-keto-4-(2-pyridylmethylamino)-3-[[2-(tetrahydropyran-2-ylthio)acetyl]amino]butyl] ester
SpectraBase Compound ID 7QonU5eJtKu
InChI InChI=1S/C24H24F4N6O5S/c25-18-17(19(26)21(28)22(20(18)27)33-34-29)24(37)39-10-7-14(23(36)31-11-13-5-1-3-8-30-13)32-15(35)12-40-16-6-2-4-9-38-16/h1,3,5,8,14,16H,2,4,6-7,9-12H2,(H,31,36)(H,32,35)
InChIKey NEHPVSYPCGKQBS-UHFFFAOYSA-N
Mol Weight 584.55 g/mol
Molecular Formula C24H24F4N6O5S
Exact Mass 584.146502 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2VQC0TlYPR7
Name 4-azido-2,3,5,6-tetrafluoro-benzoic acid [4-keto-4-(2-pyridylmethylamino)-3-[[2-(tetrahydropyran-2-ylthio)acetyl]amino]butyl] ester
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H24F4N6O5S
InChI InChI=1S/C24H24F4N6O5S/c25-18-17(19(26)21(28)22(20(18)27)33-34-29)24(37)39-10-7-14(23(36)31-11-13-5-1-3-8-30-13)32-15(35)12-40-16-6-2-4-9-38-16/h1,3,5,8,14,16H,2,4,6-7,9-12H2,(H,31,36)(H,32,35)
InChIKey NEHPVSYPCGKQBS-UHFFFAOYSA-N
Literature Reference Author R.RAJAGOPALAN,R.R.KUNTZ,U.SHARMA,W.A.VOLKERT,R.S.PANDURANGI
Literature Reference Citation J.ORG.CHEM.,67,6748(2002)
Literature Reference DOI 10.1021/jo010782u
Solvent DMSO-D6
Source File Reference UWSI22085