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3,8-PHOSPHONANEDIONE-1-OXIDE-#27,ISOMER-#1
SpectraBase Compound ID BJYtEbGkGgU
InChI InChI=1S/C14H15O4P/c15-10-6-13-14(18-13)7-11(16)9-19(17,8-10)12-4-2-1-3-5-12/h1-5,13-14H,6-9H2
InChIKey KLCLHWWELOQHFV-UHFFFAOYSA-N
Mol Weight 278.24 g/mol
Molecular Formula C14H15O4P
Exact Mass 278.070796 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FjBLuWilHR7
Name 5,6-Epoxy-1-phenyl-1,3,8-trioxo-phosphanone
CAS Registry Number 80794-95-2
Comments MAJOR ISOMER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H15O4P
InChI InChI=1S/C14H15O4P/c15-10-6-13-14(18-13)7-11(16)9-19(17,8-10)12-4-2-1-3-5-12/h1-5,13-14H,6-9H2
InChIKey KLCLHWWELOQHFV-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference L.D. Quin, E.D. Middlemas, N.S.Rao, J. Am. Chem. Soc. 104, 1893 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3