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Diisopropyl [(S)-3-((S)-3-methyl-5-oxo-2,5-dihydrofuran-2-yl)butanoyl]phosphonate
SpectraBase Compound ID 1EoueFaxLp3
InChI InChI=1S/C15H25O6P/c1-9(2)20-22(18,21-10(3)4)14(17)8-12(6)15-11(5)7-13(16)19-15/h7,9-10,12,15H,8H2,1-6H3/t12-,15+/m0/s1
InChIKey NKLFFEWWFRLQOK-SWLSCSKDSA-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 l0S1iXYEmC
Name Diisopropyl [(S)-3-((S)-3-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(17)8-12(6)15-11(5)7-13(16)19-15/h7,9-10,12,15H,8H2,1-6H3/t12-,15+/m0/s1
InChIKey NKLFFEWWFRLQOK-SWLSCSKDSA-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 = 96.2 (c = 0.10, CHCl3)
Quality 53
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 splash10-01ba-5920000000-a654175dbffdb2ac0fa5
Sample Comments 95% de; 91% ee
Source of Spectrum QE-21-SM8-3h (DOI: 10.1002/chem.201500861)
Wiley ID 1906540