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Butylphosphonic acid, 4-isopropylphenyl pentadecyl ester

View entire compound with spectra: 1 NMR

Butylphosphonic acid, 4-isopropylphenyl pentadecyl ester
SpectraBase Compound ID 9K8OtFVXCIn
InChI InChI=1S/C28H51O3P/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-24-30-32(29,25-8-6-2)31-28-22-20-27(21-23-28)26(3)4/h20-23,26H,5-19,24-25H2,1-4H3
InChIKey PDFLHGJDIQKSNA-UHFFFAOYSA-N
Mol Weight 466.7 g/mol
Molecular Formula C28H51O3P
Exact Mass 466.357582 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ladq52kFjDf
Name Butylphosphonic acid, 4-isopropylphenyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.357582497 u
Formula C28H51O3P
InChI InChI=1S/C28H51O3P/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-24-30-32(29,25-8-6-2)31-28-22-20-27(21-23-28)26(3)4/h20-23,26H,5-19,24-25H2,1-4H3
InChIKey PDFLHGJDIQKSNA-UHFFFAOYSA-N
Molecular Weight 466.687 g/mol
SMILES CCCCCCCCCCCCCCCOP(OC1=CC=C(C=C1)C(C)C)(CCCC)=O