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5-Diethylphosphonomethyl-3-methyl-isoxazole
SpectraBase Compound ID IddTI7b1PeR
InChI InChI=1S/C9H16NO4P/c1-4-12-15(11,13-5-2)7-9-6-8(3)10-14-9/h6H,4-5,7H2,1-3H3
InChIKey HFRYEPBYTCSGOF-UHFFFAOYSA-N
Mol Weight 233.2 g/mol
Molecular Formula C9H16NO4P
Exact Mass 233.081695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5I7RW1a1x6x
Name 5-Diethylphosphonomethyl-3-methyl-isoxazole
CAS Registry Number 30856-31-6
Comments AVERAGE VALUES TAKEN FOR C3 AND C5 PEAKS
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H16NO4P
InChI InChI=1S/C9H16NO4P/c1-4-12-15(11,13-5-2)7-9-6-8(3)10-14-9/h6H,4-5,7H2,1-3H3
InChIKey HFRYEPBYTCSGOF-UHFFFAOYSA-N
Instrument Name Bruker WM-250
Literature Reference M.J. Crimmin, P.J. O'Hanlon, N.H.Rogers, J. Chem. Soc. Perkin I 2047 (1989).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3