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bis(1-Hydroxytetradecyl)phosphinic acid
SpectraBase Compound ID 5XxXhLPa7jW
InChI InChI=1S/C28H59O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(29)33(31,32)28(30)26-24-22-20-18-16-14-12-10-8-6-4-2/h27-30H,3-26H2,1-2H3,(H,31,32)
InChIKey NUINNXNXHUOIFD-UHFFFAOYSA-N
Mol Weight 490.7 g/mol
Molecular Formula C28H59O4P
Exact Mass 490.415097 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3IZWGjc5OQP
Name bis(1-Hydroxytetradecyl)phosphinic acid
Comments Computed using HOSE algorithm
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Exact Mass 490.415097374 u
Formula C28H59O4P
InChI InChI=1S/C28H59O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(29)33(31,32)28(30)26-24-22-20-18-16-14-12-10-8-6-4-2/h27-30H,3-26H2,1-2H3,(H,31,32)
InChIKey NUINNXNXHUOIFD-UHFFFAOYSA-N
Molecular Weight 490.750 g/mol
Nominal Mass 490 u
SMILES C(P(O)(=O)C(O)CCCCCCCCCCCCC)(O)CCCCCCCCCCCCC