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Phosphoric acid, diundecyl methyl ester
SpectraBase Compound ID 9kQViamGX99
InChI InChI=1S/C23H49O4P/c1-4-6-8-10-12-14-16-18-20-22-26-28(24,25-3)27-23-21-19-17-15-13-11-9-7-5-2/h4-23H2,1-3H3
InChIKey JQNVXMXKANYIMW-UHFFFAOYSA-N
Mol Weight 420.6 g/mol
Molecular Formula C23H49O4P
Exact Mass 420.336847 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IeYxWDqCk3T
Name Phosphoric acid, diundecyl methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 420.336847052 u
Formula C23H49O4P
InChI InChI=1S/C23H49O4P/c1-4-6-8-10-12-14-16-18-20-22-26-28(24,25-3)27-23-21-19-17-15-13-11-9-7-5-2/h4-23H2,1-3H3
InChIKey JQNVXMXKANYIMW-UHFFFAOYSA-N
Molecular Weight 420.615 g/mol
SMILES CCCCCCCCCCCOP(OCCCCCCCCCCC)(OC)=O