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Butylphosphonic acid, dinonyl ester
SpectraBase Compound ID G9c4vGHSCPy
InChI InChI=1S/C22H47O3P/c1-4-7-10-12-14-16-18-20-24-26(23,22-9-6-3)25-21-19-17-15-13-11-8-5-2/h4-22H2,1-3H3
InChIKey ZDPCBGVBLSJNKR-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 3e5h0Q8adKB
Name Butylphosphonic acid, dinonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 390.326282368 u
Formula C22H47O3P
InChI InChI=1S/C22H47O3P/c1-4-7-10-12-14-16-18-20-24-26(23,22-9-6-3)25-21-19-17-15-13-11-8-5-2/h4-22H2,1-3H3
InChIKey ZDPCBGVBLSJNKR-UHFFFAOYSA-N
Molecular Weight 390.589 g/mol
SMILES C(COP(CCCC)(OCCCCCCCCC)=O)CCCCCCC