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Butylphosphonic acid, isohexyl tetradecyl ester
SpectraBase Compound ID K5jnHIuRHCl
InChI InChI=1S/C24H51O3P/c1-5-7-9-10-11-12-13-14-15-16-17-18-21-26-28(25,23-8-6-2)27-22-19-20-24(3)4/h24H,5-23H2,1-4H3
InChIKey FUBSRGNXJAQNJV-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C24H51O3P
Exact Mass 418.357582 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F6CHNTsJNls
Name Butylphosphonic acid, isohexyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.357582497 u
Formula C24H51O3P
InChI InChI=1S/C24H51O3P/c1-5-7-9-10-11-12-13-14-15-16-17-18-21-26-28(25,23-8-6-2)27-22-19-20-24(3)4/h24H,5-23H2,1-4H3
InChIKey FUBSRGNXJAQNJV-UHFFFAOYSA-N
Molecular Weight 418.643 g/mol
SMILES CCCCCCCCCCCCCCOP(CCCC)(=O)OCCCC(C)C