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Butylphosphonic acid, 4-methoxybenzyl octadecyl ester

View entire compound with spectra: 1 NMR

Butylphosphonic acid, 4-methoxybenzyl octadecyl ester
SpectraBase Compound ID JxsB1jrBScx
InChI InChI=1S/C30H55O4P/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-33-35(31,27-7-5-2)34-28-29-22-24-30(32-3)25-23-29/h22-25H,4-21,26-28H2,1-3H3
InChIKey VEJLNMDFRUFVLL-UHFFFAOYSA-N
Mol Weight 510.7 g/mol
Molecular Formula C30H55O4P
Exact Mass 510.383797 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5jxwT9lGtZY
Name Butylphosphonic acid, 4-methoxybenzyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 510.383797245 u
Formula C30H55O4P
InChI InChI=1S/C30H55O4P/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-33-35(31,27-7-5-2)34-28-29-22-24-30(32-3)25-23-29/h22-25H,4-21,26-28H2,1-3H3
InChIKey VEJLNMDFRUFVLL-UHFFFAOYSA-N
Molecular Weight 510.740 g/mol
SMILES C1=C(C=CC(=C1)OC)COP(CCCC)(=O)OCCCCCCCCCCCCCCCCCC