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

View entire compound with spectra: 1 NMR

Butylphosphonic acid, nonyl 4-(2-phenylprop-2-yl)phenyl ester
SpectraBase Compound ID H1LjjvvG9Io
InChI InChI=1S/C28H43O3P/c1-5-7-9-10-11-12-16-23-30-32(29,24-8-6-2)31-27-21-19-26(20-22-27)28(3,4)25-17-14-13-15-18-25/h13-15,17-22H,5-12,16,23-24H2,1-4H3
InChIKey JHWSZCKXLFNZOR-UHFFFAOYSA-N
Mol Weight 458.6 g/mol
Molecular Formula C28H43O3P
Exact Mass 458.294982 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID RSfaeIVil9
Name Butylphosphonic acid, nonyl 4-(2-phenylprop-2-yl)phenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 458.294982240 u
Formula C28H43O3P
InChI InChI=1S/C28H43O3P/c1-5-7-9-10-11-12-16-23-30-32(29,24-8-6-2)31-27-21-19-26(20-22-27)28(3,4)25-17-14-13-15-18-25/h13-15,17-22H,5-12,16,23-24H2,1-4H3
InChIKey JHWSZCKXLFNZOR-UHFFFAOYSA-N
Molecular Weight 458.623 g/mol
SMILES C(CCCOP(CCCC)(=O)OC1=CC=C(C(C2=CC=CC=C2)(C)C)C=C1)CCCCC