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2,5,5-TRIMETHYL-3-OXO-7T-HYDROXY-1-CYCLOHEPTANEPHOSPHONOACETIC ACIDGAMMA-LACTONE
SpectraBase Compound ID K2wHKKqYEW0
InChI InChI=1S/C16H27O6P/c1-6-20-23(19,21-7-2)14-13-10(3)11(17)8-16(4,5)9-12(13)22-15(14)18/h10,12-14H,6-9H2,1-5H3
InChIKey QVPJIDUJPIJIAE-UHFFFAOYSA-N
Mol Weight 346.36 g/mol
Molecular Formula C16H27O6P
Exact Mass 346.154526 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DgtDOfYyMKs
Name 2,5,5-TRIMETHYL-3-OXO-7T-HYDROXY-1-CYCLOHEPTANEPHOSPHONOACETIC ACIDGAMMA-LACTONE
Comments , CARCAS STRUCTURE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H27O6P
InChI InChI=1S/C16H27O6P/c1-6-20-23(19,21-7-2)14-13-10(3)11(17)8-16(4,5)9-12(13)22-15(14)18/h10,12-14H,6-9H2,1-5H3
InChIKey QVPJIDUJPIJIAE-UHFFFAOYSA-N
Instrument Name Tesla BS487
Literature Reference H.ORSZANSKA, F.RULKO (1984) Polish Journal of Chemistry: v.58, 697-703.
NMR Standard H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported