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A-Methoxy-A-([methylthio]-thiocarbonyl)-benzylphosphonic acid, diethyl ester
SpectraBase Compound ID CQgXFJVBp0b
InChI InChI=1S/C14H21O4PS2/c1-5-17-19(15,18-6-2)14(16-3,13(20)21-4)12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3
InChIKey VUGSQALCLPYDRD-UHFFFAOYSA-N
Mol Weight 348.41 g/mol
Molecular Formula C14H21O4PS2
Exact Mass 348.061888 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CR9xqGQGuEl
Name A-Methoxy-A-([methylthio]-thiocarbonyl)-benzylphosphonic acid, diethyl ester
CAS Registry Number 72810-34-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H21O4PS2
InChI InChI=1S/C14H21O4PS2/c1-5-17-19(15,18-6-2)14(16-3,13(20)21-4)12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3
InChIKey VUGSQALCLPYDRD-UHFFFAOYSA-N
Literature Reference E. Schaumann, F.F. Grabley, Liebigs Ann. Chem. 1715 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3