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Butylphosphonic acid, decyl 2-octyl ester
SpectraBase Compound ID LJjIRUouJSJ
InChI InChI=1S/C22H47O3P/c1-5-8-11-13-14-15-16-18-20-24-26(23,21-10-7-3)25-22(4)19-17-12-9-6-2/h22H,5-21H2,1-4H3
InChIKey NGFFUVULXWQTKE-UHFFFAOYSA-N
Mol Weight 390.6 g/mol
Molecular Formula C22H47O3P
Exact Mass 390.326282 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hi0n1UA3QpH
Name Butylphosphonic acid, decyl 2-octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 390.326282368 u
Formula C22H47O3P
InChI InChI=1S/C22H47O3P/c1-5-8-11-13-14-15-16-18-20-24-26(23,21-10-7-3)25-22(4)19-17-12-9-6-2/h22H,5-21H2,1-4H3
InChIKey NGFFUVULXWQTKE-UHFFFAOYSA-N
Molecular Weight 390.589 g/mol
SMILES C(CCCOP(CCCC)(=O)OC(C)CCCCCC)CCCCCC