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2,2-Dimethyl-1,3-propanediyl .alpha.-acetyl-4-methoxystyrylphosphonate
SpectraBase Compound ID JP5ysPNU5Jb
InChI InChI=1S/C16H21O5P/c1-12(17)15(13-5-7-14(19-4)8-6-13)9-22(18)20-10-16(2,3)11-21-22/h5-9H,10-11H2,1-4H3/b15-9-
InChIKey KTMNSYSQRLRPSZ-DHDCSXOGSA-N
Mol Weight 324.31 g/mol
Molecular Formula C16H21O5P
Exact Mass 324.112661 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rYzuQ9gB2O
Name 2,2-Dimethyl-1,3-propanediyl .alpha.-acetyl-4-methoxystyrylphosphonate
Alternate Name(s) (3E)-4-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-3-(4-methoxyphenyl)-3-buten-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C16H21O5P
InChI InChI=1S/C16H21O5P/c1-12(17)15(13-5-7-14(19-4)8-6-13)9-22(18)20-10-16(2,3)11-21-22/h5-9H,10-11H2,1-4H3/b15-9-
InChIKey KTMNSYSQRLRPSZ-DHDCSXOGSA-N
Molecular Weight 324.313 g/mol
SMILES C(\C(=C\P1(OCC(CO1)(C)C)=O)c1ccc(cc1)OC)(=O)C
SPLASH splash10-001i-0093000000-e8f845f9a2c5c9c58eaa
Source of Spectrum SO-0-711-1
Wiley ID 1544195