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4-Tolylsulfinyl-ethynyl-phosphonic acid, diethyl ester

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4-Tolylsulfinyl-ethynyl-phosphonic acid, diethyl ester
SpectraBase Compound ID 1qe01k9HHPt
InChI InChI=1S/C13H17O4PS/c1-4-16-18(14,17-5-2)10-11-19(15)13-8-6-12(3)7-9-13/h6-9H,4-5H2,1-3H3
InChIKey QDROTLOHFHWDLP-UHFFFAOYSA-N
Mol Weight 300.31 g/mol
Molecular Formula C13H17O4PS
Exact Mass 300.058517 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2HmtewZfSaa
Name 4-Tolylsulfinyl-ethynyl-phosphonic acid, diethyl ester
CAS Registry Number 114070-90-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H17O4PS
InChI InChI=1S/C13H17O4PS/c1-4-16-18(14,17-5-2)10-11-19(15)13-8-6-12(3)7-9-13/h6-9H,4-5H2,1-3H3
InChIKey QDROTLOHFHWDLP-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