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Diethyl 4-hydroxy-4-phenylbutyl-1-phosphonate
SpectraBase Compound ID 1Ntq9MveUI6
InChI InChI=1S/C14H23O4P/c1-3-17-19(16,18-4-2)12-8-11-14(15)13-9-6-5-7-10-13/h5-7,9-10,14-15H,3-4,8,11-12H2,1-2H3
InChIKey YYBHKYYLDHEAAA-UHFFFAOYSA-N
Mol Weight 286.31 g/mol
Molecular Formula C14H23O4P
Exact Mass 286.133396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1owa299FVw
Name Diethyl 4-hydroxy-4-phenylbutyl-1-phosphonate
Alternate Name(s) ((E)-4-Hydroxy-4-phenyl-but-1-enyl)-phosphonic acid diethyl ester
Comments Note: The molecular formula of the structure shown is C14H23O4P - which differs from the formula reported for the mass spectrum (C15H23O4P)
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Formula C15H23O4P
InChI InChI=1S/C14H23O4P/c1-3-17-19(16,18-4-2)12-8-11-14(15)13-9-6-5-7-10-13/h5-7,9-10,14-15H,3-4,8,11-12H2,1-2H3
InChIKey YYBHKYYLDHEAAA-UHFFFAOYSA-N
Molecular Weight 286.308 g/mol
SMILES OC(CCCP(OCC)(OCC)=O)c1ccccc1
SPLASH splash10-00b9-0920000000-adbb08aa170695929bd4
Source of Spectrum AC-1994-960-3
Wiley ID 811776