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Butylphosphonic acid, butyl hexyl ester
SpectraBase Compound ID 3aKHGGmJjjC
InChI InChI=1S/C14H31O3P/c1-4-7-10-11-13-17-18(15,14-9-6-3)16-12-8-5-2/h4-14H2,1-3H3
InChIKey KAPZFUOSBASOCZ-UHFFFAOYSA-N
Mol Weight 278.37 g/mol
Molecular Formula C14H31O3P
Exact Mass 278.201082 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H35qsbqRsBL
Name Butylphosphonic acid, butyl hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.201081853 u
Formula C14H31O3P
InChI InChI=1S/C14H31O3P/c1-4-7-10-11-13-17-18(15,14-9-6-3)16-12-8-5-2/h4-14H2,1-3H3
InChIKey KAPZFUOSBASOCZ-UHFFFAOYSA-N
Molecular Weight 278.373 g/mol
SMILES CCCCOP(OCCCCCC)(CCCC)=O