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ETHYL-2-CYANO-3-METHYLTHIO-3-(DI-ISO-PROPOXYPHOSPHONYL)-ACRYLATE
SpectraBase Compound ID Azv9zDIopG4
InChI InChI=1S/2C13H22NO5PS/c2*1-7-17-12(15)11(8-14)13(21-6)20(16,18-9(2)3)19-10(4)5/h2*9-10H,7H2,1-6H3/b13-11+;13-11-
InChIKey ZBAFLDRHTGKLFJ-XXIHXYBNSA-N
Mol Weight 670.71 g/mol
Molecular Formula C26H44N2O10P2S2
Exact Mass 670.191262 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E5235cU2pTo
Name ETHYL-2-CYANO-3-METHYLTHIO-3-(DI-ISO-PROPOXYPHOSPHONYL)-ACRYLATE
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H44N2O10P2S2
InChI InChI=1S/2C13H22NO5PS/c2*1-7-17-12(15)11(8-14)13(21-6)20(16,18-9(2)3)19-10(4)5/h2*9-10H,7H2,1-6H3/b13-11+;13-11-
InChIKey ZBAFLDRHTGKLFJ-XXIHXYBNSA-N
Literature Reference Author Y.P.LV,X.Y.WANG,B.A.SONG,S.YANG,K.YAN,G.F.XU,P.S.BHADURY,F.L IU,L.H.JIN,D.Y.HU
Literature Reference Citation MOLECULES,12,965(2007)
Literature Reference DOI 10.3390/12050965
Molecular Weight 670.710 g/mol
Sample ID 46356
Solvent CDCl3