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Diethyl 4-butyryloxy-2-oxo-4-(4-methoxyphenyl)butylphosphonate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Diethyl 4-butyryloxy-2-oxo-4-(4-methoxyphenyl)butylphosphonate
SpectraBase Compound ID BC3FcPAXsmT
InChI InChI=1S/C19H29O7P/c1-5-8-19(21)26-18(15-9-11-17(23-4)12-10-15)13-16(20)14-27(22,24-6-2)25-7-3/h9-12,18H,5-8,13-14H2,1-4H3
InChIKey NXOMXIHQXJXHOK-UHFFFAOYSA-N
Mol Weight 400.41 g/mol
Molecular Formula C19H29O7P
Exact Mass 400.16509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DLlKjem54Cx
Name Diethyl 4-butyryloxy-2-oxo-4-(4-methoxyphenyl)butylphosphonate
Comments Computed using HOSE algorithm
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Exact Mass 400.165090265 u
Formula C19H29O7P
InChI InChI=1S/C19H29O7P/c1-5-8-19(21)26-18(15-9-11-17(23-4)12-10-15)13-16(20)14-27(22,24-6-2)25-7-3/h9-12,18H,5-8,13-14H2,1-4H3
InChIKey NXOMXIHQXJXHOK-UHFFFAOYSA-N
Molecular Weight 400.408 g/mol
SMILES C(C(CC(C=1C=CC(=CC1)OC)OC(=O)CCC)=O)P(OCC)(OCC)=O