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Butylphosphonic acid, 2-isopropoxyphenyl tetradecyl ester

View entire compound with spectra: 1 NMR

Butylphosphonic acid, 2-isopropoxyphenyl tetradecyl ester
SpectraBase Compound ID Hwi0Ggc2FZD
InChI InChI=1S/C27H49O4P/c1-5-7-9-10-11-12-13-14-15-16-17-20-23-29-32(28,24-8-6-2)31-27-22-19-18-21-26(27)30-25(3)4/h18-19,21-22,25H,5-17,20,23-24H2,1-4H3
InChIKey MPRHUCIMYBZOQP-UHFFFAOYSA-N
Mol Weight 468.7 g/mol
Molecular Formula C27H49O4P
Exact Mass 468.336847 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 778iEaXaHcV
Name Butylphosphonic acid, 2-isopropoxyphenyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 468.336847052 u
Formula C27H49O4P
InChI InChI=1S/C27H49O4P/c1-5-7-9-10-11-12-13-14-15-16-17-20-23-29-32(28,24-8-6-2)31-27-22-19-18-21-26(27)30-25(3)4/h18-19,21-22,25H,5-17,20,23-24H2,1-4H3
InChIKey MPRHUCIMYBZOQP-UHFFFAOYSA-N
Molecular Weight 468.659 g/mol
SMILES CCCCCCCCCCCCCCOP(OC1=CC=CC=C1OC(C)C)(CCCC)=O