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3-Hexanoyl-3-(diethylphosphonyl)prop-1-ene
SpectraBase Compound ID 39xWq3SxJpI
InChI InChI=1S/C13H25O4P/c1-5-9-10-11-12(14)13(6-2)18(15,16-7-3)17-8-4/h6,13H,2,5,7-11H2,1,3-4H3
InChIKey KRQFQPOIVNXVRM-UHFFFAOYSA-N
Mol Weight 276.31 g/mol
Molecular Formula C13H25O4P
Exact Mass 276.149046 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 10eJhNpHPbP
Name 3-Hexanoyl-3-(diethylphosphonyl)prop-1-ene
Alternate Name(s) Diethyl .alpha.-vinyl-.beta.-oxoheptylphosphonate diethyl 1-hexanoyl-2-propenylphosphonate
Comments Less than 3 mono-isotopic peaks
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Formula C13H25O4P
InChI InChI=1S/C13H25O4P/c1-5-9-10-11-12(14)13(6-2)18(15,16-7-3)17-8-4/h6,13H,2,5,7-11H2,1,3-4H3
InChIKey KRQFQPOIVNXVRM-UHFFFAOYSA-N
Molecular Weight 276.313 g/mol
SMILES C(C(CCCCC)=O)(P(OCC)(OCC)=O)C=C
SPLASH splash10-004i-0920000000-11d6a43584cfca215771
Source of Spectrum OP-31-218-3
Wiley ID 1577777