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methanesulfonic 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 EJZ3ZKAuiW
InChI InChI=1S/C18H16NO6PS/c1-3-23-26(20)18(14-10-8-13(12-19)9-11-14)17(25-27(2,21)22)15-6-4-5-7-16(15)24-26/h4-11H,3H2,1-2H3
InChIKey LGMIABWWNLDGML-UHFFFAOYSA-N
Mol Weight 405.36 g/mol
Molecular Formula C18H16NO6PS
Exact Mass 405.043595 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6DtXGTrrfRU
Name methanesulfonic 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 8DF
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H16NO6PS
InChI InChI=1S/C18H16NO6PS/c1-3-23-26(20)18(14-10-8-13(12-19)9-11-14)17(25-27(2,21)22)15-6-4-5-7-16(15)24-26/h4-11H,3H2,1-2H3
InChIKey LGMIABWWNLDGML-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 405.362 g/mol
Sample ID 41961
Solvent CDCl3