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

View entire compound with spectra: 1 NMR

Butylphosphonic acid, dodecyl 4-(2-phenylprop-2-yl)phenyl ester
SpectraBase Compound ID IfF8N2f859D
InChI InChI=1S/C31H49O3P/c1-5-7-9-10-11-12-13-14-15-19-26-33-35(32,27-8-6-2)34-30-24-22-29(23-25-30)31(3,4)28-20-17-16-18-21-28/h16-18,20-25H,5-15,19,26-27H2,1-4H3
InChIKey RSKRXESBDGKPIN-UHFFFAOYSA-N
Mol Weight 500.7 g/mol
Molecular Formula C31H49O3P
Exact Mass 500.341932 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DKLfKas0rzj
Name Butylphosphonic acid, dodecyl 4-(2-phenylprop-2-yl)phenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 500.341932433 u
Formula C31H49O3P
InChI InChI=1S/C31H49O3P/c1-5-7-9-10-11-12-13-14-15-19-26-33-35(32,27-8-6-2)34-30-24-22-29(23-25-30)31(3,4)28-20-17-16-18-21-28/h16-18,20-25H,5-15,19,26-27H2,1-4H3
InChIKey RSKRXESBDGKPIN-UHFFFAOYSA-N
Molecular Weight 500.704 g/mol
SMILES C(COP(CCCC)(=O)OC1=CC=C(C=C1)C(C1=CC=CC=C1)(C)C)CCCCCCCCCC