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Butylphosphonic acid, 2-ethylhexyl heptadecyl ester

View entire compound with spectra: 1 NMR

Butylphosphonic acid, 2-ethylhexyl heptadecyl ester
SpectraBase Compound ID IazkGcMYqBt
InChI InChI=1S/C29H61O3P/c1-5-9-12-13-14-15-16-17-18-19-20-21-22-23-24-26-31-33(30,27-11-7-3)32-28-29(8-4)25-10-6-2/h29H,5-28H2,1-4H3
InChIKey RSOHJZDRFMLGAG-UHFFFAOYSA-N
Mol Weight 488.8 g/mol
Molecular Formula C29H61O3P
Exact Mass 488.435833 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1gJ1ZqyhNuz
Name Butylphosphonic acid, 2-ethylhexyl heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 488.435832819 u
Formula C29H61O3P
InChI InChI=1S/C29H61O3P/c1-5-9-12-13-14-15-16-17-18-19-20-21-22-23-24-26-31-33(30,27-11-7-3)32-28-29(8-4)25-10-6-2/h29H,5-28H2,1-4H3
InChIKey RSOHJZDRFMLGAG-UHFFFAOYSA-N
Molecular Weight 488.778 g/mol
SMILES C(CCCCOP(CCCC)(=O)OCC(CCCC)CC)CCCCCCCCCCCC