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4-methylbenzenesulfonic acid [9-(4-cyanophenyl)-8-ethoxy-8-keto-7-oxa-8$l^{5}-phosphabicyclo[4.4.0]deca-1,3,5,9-tetraen-10-yl] ester
SpectraBase Compound ID BWmzDT3g13Y
InChI InChI=1S/C24H20NO6PS/c1-3-29-32(26)24(19-12-10-18(16-25)11-13-19)23(21-6-4-5-7-22(21)30-32)31-33(27,28)20-14-8-17(2)9-15-20/h4-15H,3H2,1-2H3
InChIKey TVVCFFZGMVBECJ-UHFFFAOYSA-N
Mol Weight 481.46 g/mol
Molecular Formula C24H20NO6PS
Exact Mass 481.074896 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6YCLesqHSKK
Name 4-methylbenzenesulfonic acid [9-(4-cyanophenyl)-8-ethoxy-8-keto-7-oxa-8$l^{5}-phosphabicyclo[4.4.0]deca-1,3,5,9-tetraen-10-yl] ester
Compound Number 8DH
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H20NO6PS
InChI InChI=1S/C24H20NO6PS/c1-3-29-32(26)24(19-12-10-18(16-25)11-13-19)23(21-6-4-5-7-22(21)30-32)31-33(27,28)20-14-8-17(2)9-15-20/h4-15H,3H2,1-2H3
InChIKey TVVCFFZGMVBECJ-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 481.460 g/mol
Sample ID 41965
Solvent CDCl3