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4-methylbenzenesulfonic acid (8-keto-8-methoxy-9-phenyl-7-oxa-8$l^{5}-phosphabicyclo[4.4.0]deca-1,3,5,9-tetraen-10-yl) ester
SpectraBase Compound ID JiZZc7By10K
InChI InChI=1S/C22H19O6PS/c1-16-12-14-18(15-13-16)30(24,25)28-21-19-10-6-7-11-20(19)27-29(23,26-2)22(21)17-8-4-3-5-9-17/h3-15H,1-2H3
InChIKey NIMPLJBXDWIAHR-UHFFFAOYSA-N
Mol Weight 442.42 g/mol
Molecular Formula C22H19O6PS
Exact Mass 442.063996 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BJi0vwusvQO
Name 4-methylbenzenesulfonic acid (8-keto-8-methoxy-9-phenyl-7-oxa-8$l^{5}-phosphabicyclo[4.4.0]deca-1,3,5,9-tetraen-10-yl) ester
Compound Number 8AH
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H19O6PS
InChI InChI=1S/C22H19O6PS/c1-16-12-14-18(15-13-16)30(24,25)28-21-19-10-6-7-11-20(19)27-29(23,26-2)22(21)17-8-4-3-5-9-17/h3-15H,1-2H3
InChIKey NIMPLJBXDWIAHR-UHFFFAOYSA-N
Literature Reference Author X.LI,D.ZHANG,H.PANG,F.SHEN,H.FU,Y.JIANG,Y.ZHAO
Literature Reference Citation ORG.LETTERS,7,4919(2005)
Literature Reference DOI 10.1021/ol051871m
Molecular Weight 442.423 g/mol
Sample ID 41964
Solvent CDCl3