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PHOSPHONOACETYLACETIC ACID, TRIMETHYL ESTER (KETO)
SpectraBase Compound ID 3pu4g3sTOqb
InChI InChI=1S/C7H13O6P/c1-5(8)6(7(9)11-2)14(10,12-3)13-4/h6H,1-4H3
InChIKey QXCFMGDASLVSIZ-UHFFFAOYSA-N
Mol Weight 224.15 g/mol
Molecular Formula C7H13O6P
Exact Mass 224.044975 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AhPBLln3TaK
Name PHOSPHONOACETYLACETIC ACID, TRIMETHYL ESTER (KETO)
Comments , SCALE INVERTED. ERRATA: PEAK 32.0 WAS ASSIGNED TO ENOL FORM BY AUTHORS;RA-2305 (RUSSIAN)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H13O6P
InChI InChI=1S/C7H13O6P/c1-5(8)6(7(9)11-2)14(10,12-3)13-4/h6H,1-4H3
InChIKey QXCFMGDASLVSIZ-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference B.A.ARBUZOV, V.G.SAKHIBULLINA, N.A.POLEZHAEVA (1975) Izv.Akad.Nauk SSSR(Russ.Lang.): N12, 2763-2766.
NMR Standard -H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported