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(E)-5-ACETOXY-3-ETHOXY-1,1,1,2,2-PENTAFLUORO-5-PHENYL-4-(PHENYLSULFONYL)-PENT-3-ENE
SpectraBase Compound ID KK2ZB9htNl4
InChI InChI=1S/C21H19F5O5S/c1-3-30-19(20(22,23)21(24,25)26)18(32(28,29)16-12-8-5-9-13-16)17(31-14(2)27)15-10-6-4-7-11-15/h4-13,17H,3H2,1-2H3/b19-18+
InChIKey HBXBGQFBELBCRK-VHEBQXMUSA-N
Mol Weight 478.43 g/mol
Molecular Formula C21H19F5O5S
Exact Mass 478.087336 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DZ7ZcB52faI
Name (E)-5-ACETOXY-3-ETHOXY-1,1,1,2,2-PENTAFLUORO-5-PHENYL-4-(PHENYLSULFONYL)-PENT-3-ENE
Compound Number 8A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H19F5O5S
InChI InChI=1S/C21H19F5O5S/c1-3-30-19(20(22,23)21(24,25)26)18(32(28,29)16-12-8-5-9-13-16)17(31-14(2)27)15-10-6-4-7-11-15/h4-13,17H,3H2,1-2H3/b19-18+
InChIKey HBXBGQFBELBCRK-VHEBQXMUSA-N
Literature Reference Author M.YOSHIMATSU,M.HIBINO
Literature Reference Citation CHEM.PHARM.BULL.,48,1395(2000)
Literature Reference DOI 10.1248/cpb.48.1395
Molecular Weight 478.431 g/mol
Solvent CDCl3
Source File Reference UWVN4547