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Diisopropyl [(S)-3-((S)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl)butanoyl]phosphonate
SpectraBase Compound ID JQhINRL2YtY
InChI InChI=1S/C15H25O6P/c1-9(2)20-22(18,21-10(3)4)14(16)8-11(5)13-7-12(6)15(17)19-13/h7,9-11,13H,8H2,1-6H3/t11-,13+/m0/s1
InChIKey FHECTDRWTQKDRY-WCQYABFASA-N
Mol Weight 332.33 g/mol
Molecular Formula C15H25O6P
Exact Mass 332.138876 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ClDR4oEoXs
Name Diisopropyl [(S)-3-((S)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl)butanoyl]phosphonate
Appearance Yellow oil
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Formula C15H25O6P
InChI InChI=1S/C15H25O6P/c1-9(2)20-22(18,21-10(3)4)14(16)8-11(5)13-7-12(6)15(17)19-13/h7,9-11,13H,8H2,1-6H3/t11-,13+/m0/s1
InChIKey FHECTDRWTQKDRY-WCQYABFASA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201500861
Molecular Weight 332.333 g/mol
Optical Rotation [a]D = 57.4 (c = 0.45, CHCl3)
Quality 63
Reported Formula C15H25O6P
SMILES C1(C(=C[C@@](O1)([C@@](C)(CC(P(OC(C)C)(OC(C)C)=O)=O)[H])[H])C)=O
SPLASH splash10-00r2-9600000000-7e743945a33119d1bc4f
Sample Comments 95% de; 97% ee
Source of Spectrum QE-21-SM7-3g (DOI: 10.1002/chem.201500861)
Wiley ID 1906539