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

View entire compound with spectra: 1 NMR

Butylphosphonic acid, 4-(2-phenylprop-2-yl)phenyl propyl ester
SpectraBase Compound ID 2IlYDDcprw4
InChI InChI=1S/C22H31O3P/c1-5-7-18-26(23,24-17-6-2)25-21-15-13-20(14-16-21)22(3,4)19-11-9-8-10-12-19/h8-16H,5-7,17-18H2,1-4H3
InChIKey FPDWFPWUHFCHPH-UHFFFAOYSA-N
Mol Weight 374.46 g/mol
Molecular Formula C22H31O3P
Exact Mass 374.201082 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FV6VfK9eaWh
Name Butylphosphonic acid, 4-(2-phenylprop-2-yl)phenyl propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 374.201081853 u
Formula C22H31O3P
InChI InChI=1S/C22H31O3P/c1-5-7-18-26(23,24-17-6-2)25-21-15-13-20(14-16-21)22(3,4)19-11-9-8-10-12-19/h8-16H,5-7,17-18H2,1-4H3
InChIKey FPDWFPWUHFCHPH-UHFFFAOYSA-N
Molecular Weight 374.461 g/mol
SMILES CCCOP(CCCC)(=O)OC1=CC=C(C(C2=CC=CC=C2)(C)C)C=C1