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Butylphosphonic acid, di(3-phenylpropyl) ester

View entire compound with spectra: 1 NMR

Butylphosphonic acid, di(3-phenylpropyl) ester
SpectraBase Compound ID LxthtYpLoxg
InChI InChI=1S/C22H31O3P/c1-2-3-20-26(23,24-18-10-16-21-12-6-4-7-13-21)25-19-11-17-22-14-8-5-9-15-22/h4-9,12-15H,2-3,10-11,16-20H2,1H3
InChIKey SKUVYYMKKBIYFU-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 5pj7TEwsca6
Name Butylphosphonic acid, di(3-phenylpropyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.201081853 u
Formula C22H31O3P
InChI InChI=1S/C22H31O3P/c1-2-3-20-26(23,24-18-10-16-21-12-6-4-7-13-21)25-19-11-17-22-14-8-5-9-15-22/h4-9,12-15H,2-3,10-11,16-20H2,1H3
InChIKey SKUVYYMKKBIYFU-UHFFFAOYSA-N
Molecular Weight 374.461 g/mol
SMILES C(COP(CCCC)(=O)OCCCC1=CC=CC=C1)CC1=CC=CC=C1