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Butylphosphonic acid, 3,5-dimethylphenyl pentadecyl ester

View entire compound with spectra: 1 NMR

Butylphosphonic acid, 3,5-dimethylphenyl pentadecyl ester
SpectraBase Compound ID 81iTFs8sPpm
InChI InChI=1S/C27H49O3P/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-29-31(28,21-8-6-2)30-27-23-25(3)22-26(4)24-27/h22-24H,5-21H2,1-4H3
InChIKey PNNDUAPSEYDIKN-UHFFFAOYSA-N
Mol Weight 452.7 g/mol
Molecular Formula C27H49O3P
Exact Mass 452.341932 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EFJDqGmroc4
Name Butylphosphonic acid, 3,5-dimethylphenyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 452.341932433 u
Formula C27H49O3P
InChI InChI=1S/C27H49O3P/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-29-31(28,21-8-6-2)30-27-23-25(3)22-26(4)24-27/h22-24H,5-21H2,1-4H3
InChIKey PNNDUAPSEYDIKN-UHFFFAOYSA-N
Molecular Weight 452.660 g/mol
SMILES C1=C(C=C(C=C1C)C)OP(CCCC)(OCCCCCCCCCCCCCCC)=O