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Butylphosphonic acid, 2-isopropoxyphenyl nonyl ester

View entire compound with spectra: 1 NMR

Butylphosphonic acid, 2-isopropoxyphenyl nonyl ester
SpectraBase Compound ID ApFhcebdw1x
InChI InChI=1S/C22H39O4P/c1-5-7-9-10-11-12-15-18-24-27(23,19-8-6-2)26-22-17-14-13-16-21(22)25-20(3)4/h13-14,16-17,20H,5-12,15,18-19H2,1-4H3
InChIKey SDYQLEXFVDVEGY-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C22H39O4P
Exact Mass 398.258597 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3pPSSll231z
Name Butylphosphonic acid, 2-isopropoxyphenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 398.258596730 u
Formula C22H39O4P
InChI InChI=1S/C22H39O4P/c1-5-7-9-10-11-12-15-18-24-27(23,19-8-6-2)26-22-17-14-13-16-21(22)25-20(3)4/h13-14,16-17,20H,5-12,15,18-19H2,1-4H3
InChIKey SDYQLEXFVDVEGY-UHFFFAOYSA-N
Molecular Weight 398.524 g/mol
SMILES CCCCCCCCCOP(OC1=CC=CC=C1OC(C)C)(CCCC)=O