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Butylphosphonic acid, hexadecyl 4-methoxybenzyl ester

View entire compound with spectra: 1 NMR

Butylphosphonic acid, hexadecyl 4-methoxybenzyl ester
SpectraBase Compound ID 4xDARyuIinB
InChI InChI=1S/C28H51O4P/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-24-31-33(29,25-7-5-2)32-26-27-20-22-28(30-3)23-21-27/h20-23H,4-19,24-26H2,1-3H3
InChIKey HHSIWTKAJYLGHK-UHFFFAOYSA-N
Mol Weight 482.7 g/mol
Molecular Formula C28H51O4P
Exact Mass 482.352497 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KxgyPkwKxlw
Name Butylphosphonic acid, hexadecyl 4-methoxybenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 482.352497116 u
Formula C28H51O4P
InChI InChI=1S/C28H51O4P/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-24-31-33(29,25-7-5-2)32-26-27-20-22-28(30-3)23-21-27/h20-23H,4-19,24-26H2,1-3H3
InChIKey HHSIWTKAJYLGHK-UHFFFAOYSA-N
Molecular Weight 482.686 g/mol
SMILES CCCCCCCCCCCCCCCCOP(CCCC)(=O)OCC1=CC=C(C=C1)OC