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Butylphosphonic acid, isobutyl pentadecyl ester
SpectraBase Compound ID DlHc88PzjQx
InChI InChI=1S/C23H49O3P/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-25-27(24,21-8-6-2)26-22-23(3)4/h23H,5-22H2,1-4H3
InChIKey JIWFBYPJSCJFBD-UHFFFAOYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C23H49O3P
Exact Mass 404.341932 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3O4EwSC9bES
Name Butylphosphonic acid, isobutyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 404.341932433 u
Formula C23H49O3P
InChI InChI=1S/C23H49O3P/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-25-27(24,21-8-6-2)26-22-23(3)4/h23H,5-22H2,1-4H3
InChIKey JIWFBYPJSCJFBD-UHFFFAOYSA-N
Molecular Weight 404.616 g/mol
SMILES CCCCCCCCCCCCCCCOP(CCCC)(=O)OCC(C)C