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3-Cyano-2-(4-tolylthio)-indolizin-1-yl-phosphonic acid, diethyl ester

View entire compound with spectra: 1 NMR

3-Cyano-2-(4-tolylthio)-indolizin-1-yl-phosphonic acid, diethyl ester
SpectraBase Compound ID 5HY3EWeBUpy
InChI InChI=1S/C20H21N2O3PS/c1-4-24-26(23,25-5-2)19-17-8-6-7-13-22(17)18(14-21)20(19)27-16-11-9-15(3)10-12-16/h6-13H,4-5H2,1-3H3
InChIKey XJIXDFJRKZZXJV-UHFFFAOYSA-N
Mol Weight 400.43 g/mol
Molecular Formula C20H21N2O3PS
Exact Mass 400.101051 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9r9eb1sKTGj
Name 3-Cyano-2-(4-tolylthio)-indolizin-1-yl-phosphonic acid, diethyl ester
CAS Registry Number 114070-99-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H21N2O3PS
InChI InChI=1S/C20H21N2O3PS/c1-4-24-26(23,25-5-2)19-17-8-6-7-13-22(17)18(14-21)20(19)27-16-11-9-15(3)10-12-16/h6-13H,4-5H2,1-3H3
InChIKey XJIXDFJRKZZXJV-UHFFFAOYSA-N
Literature Reference R.M. Acheson, P.J. Ansell, J. Chem. Soc. Perkin I 1275 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3