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Diethyl (1R/S,2S)-(1-ethyl-2-isopropyl-5-methyl-4-oxohexyl)phosphonate
SpectraBase Compound ID A5TtBWSWMAj
InChI InChI=1S/C16H33O4P/c1-8-16(21(18,19-9-2)20-10-3)14(12(4)5)11-15(17)13(6)7/h12-14,16H,8-11H2,1-7H3/t14-,16?/m0/s1
InChIKey BTQBICDOBBCOOA-LBAUFKAWSA-N
Mol Weight 320.4 g/mol
Molecular Formula C16H33O4P
Exact Mass 320.211647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qmx7EGreZG
Name Diethyl (1R/S,2S)-(1-ethyl-2-isopropyl-5-methyl-4-oxohexyl)phosphonate
Alternate Name(s) Diethyl (1R/S,3S)-(1-ethyl-2-isopropyl-5-methyl-4-oxohexyl)phosphonate Diethyl (2S)-1-ethyl-2-isopropyl-5-methyl-4-oxohexylphosphonate
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Formula C16H33O4P
InChI InChI=1S/C16H33O4P/c1-8-16(21(18,19-9-2)20-10-3)14(12(4)5)11-15(17)13(6)7/h12-14,16H,8-11H2,1-7H3/t14-,16?/m0/s1
InChIKey BTQBICDOBBCOOA-LBAUFKAWSA-N
Molecular Weight 320.410 g/mol
SMILES C(P(=O)(OCC)OCC)([C@@](CC(=O)C(C)C)(C(C)C)[H])CC
SPLASH splash10-0059-0390000000-dc56235e6b74afdc7fe2
Source of Spectrum F-53-12975-8
Wiley ID 803756