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Butylphosphonic acid, 4-methoxybenzyl tetradecyl ester

View entire compound with spectra: 1 NMR

Butylphosphonic acid, 4-methoxybenzyl tetradecyl ester
SpectraBase Compound ID ARdx2OhEUJj
InChI InChI=1S/C26H47O4P/c1-4-6-8-9-10-11-12-13-14-15-16-17-22-29-31(27,23-7-5-2)30-24-25-18-20-26(28-3)21-19-25/h18-21H,4-17,22-24H2,1-3H3
InChIKey BMPYWTLATOTNAQ-UHFFFAOYSA-N
Mol Weight 454.6 g/mol
Molecular Formula C26H47O4P
Exact Mass 454.321197 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BR5id2Y8KgG
Name Butylphosphonic acid, 4-methoxybenzyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 454.321196987 u
Formula C26H47O4P
InChI InChI=1S/C26H47O4P/c1-4-6-8-9-10-11-12-13-14-15-16-17-22-29-31(27,23-7-5-2)30-24-25-18-20-26(28-3)21-19-25/h18-21H,4-17,22-24H2,1-3H3
InChIKey BMPYWTLATOTNAQ-UHFFFAOYSA-N
Molecular Weight 454.632 g/mol
SMILES C(OP(CCCC)(=O)OCCCCCCCCCCCCCC)C1=CC=C(C=C1)OC