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Butylphosphonic acid, pentyl 4-(2-phenylprop-2-yl)phenyl ester

View entire compound with spectra: 1 NMR

Butylphosphonic acid, pentyl 4-(2-phenylprop-2-yl)phenyl ester
SpectraBase Compound ID 6prPJRxAYyn
InChI InChI=1S/C24H35O3P/c1-5-7-12-19-26-28(25,20-8-6-2)27-23-17-15-22(16-18-23)24(3,4)21-13-10-9-11-14-21/h9-11,13-18H,5-8,12,19-20H2,1-4H3
InChIKey PSABVJTZIBCGFE-UHFFFAOYSA-N
Mol Weight 402.5 g/mol
Molecular Formula C24H35O3P
Exact Mass 402.232382 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HGpLKms3rRy
Name Butylphosphonic acid, pentyl 4-(2-phenylprop-2-yl)phenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 402.232381982 u
Formula C24H35O3P
InChI InChI=1S/C24H35O3P/c1-5-7-12-19-26-28(25,20-8-6-2)27-23-17-15-22(16-18-23)24(3,4)21-13-10-9-11-14-21/h9-11,13-18H,5-8,12,19-20H2,1-4H3
InChIKey PSABVJTZIBCGFE-UHFFFAOYSA-N
Molecular Weight 402.515 g/mol
SMILES C(CCCOP(CCCC)(=O)OC1=CC=C(C(C2=CC=CC=C2)(C)C)C=C1)C