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Diethyl 7-hydroxy-1-methylthiohept-3-enyl phosphonate
SpectraBase Compound ID CkrlTq8umhh
InChI InChI=1S/C12H25O4PS/c1-4-15-17(14,16-5-2)12(18-3)10-8-6-7-9-11-13/h6,8,12-13H,4-5,7,9-11H2,1-3H3/b8-6+
InChIKey ZVHCZGOLXXYWRB-SOFGYWHQSA-N
Mol Weight 296.36 g/mol
Molecular Formula C12H25O4PS
Exact Mass 296.121117 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FFQuyXS5jm5
Name Diethyl 7-hydroxy-1-methylthiohept-3-enyl phosphonate
Alternate Name(s) Diethyl (3E)-7-hydroxy-1-(methylsulfanyl)-3-heptenylphosphonate
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Formula C12H25O4PS
InChI InChI=1S/C12H25O4PS/c1-4-15-17(14,16-5-2)12(18-3)10-8-6-7-9-11-13/h6,8,12-13H,4-5,7,9-11H2,1-3H3/b8-6+
InChIKey ZVHCZGOLXXYWRB-SOFGYWHQSA-N
Molecular Weight 296.362 g/mol
SMILES OCCC\C=C\CC(P(=O)(OCC)OCC)SC
SPLASH splash10-0002-0900000000-0c72a94235f89939d226
Source of Spectrum AT-36-4836-5
Wiley ID 853175