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Butylphosphonic acid, hexyl octadecyl ester
SpectraBase Compound ID AX3vfrrAhZX
InChI InChI=1S/C28H59O3P/c1-4-7-10-12-13-14-15-16-17-18-19-20-21-22-23-25-27-31-32(29,28-9-6-3)30-26-24-11-8-5-2/h4-28H2,1-3H3
InChIKey FARSRHWZRWBXIJ-UHFFFAOYSA-N
Mol Weight 474.8 g/mol
Molecular Formula C28H59O3P
Exact Mass 474.420183 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CIMM9Nv2Oi6
Name Butylphosphonic acid, hexyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 474.420182755 u
Formula C28H59O3P
InChI InChI=1S/C28H59O3P/c1-4-7-10-12-13-14-15-16-17-18-19-20-21-22-23-25-27-31-32(29,28-9-6-3)30-26-24-11-8-5-2/h4-28H2,1-3H3
InChIKey FARSRHWZRWBXIJ-UHFFFAOYSA-N
Molecular Weight 474.751 g/mol
SMILES C(CCCCCCOP(CCCC)(OCCCCCC)=O)CCCCCCCCCCC