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Butylphosphonic acid, dodecyl 2-isopropylphenyl ester

View entire compound with spectra: 1 NMR

Butylphosphonic acid, dodecyl 2-isopropylphenyl ester
SpectraBase Compound ID AMIkXHvj1rl
InChI InChI=1S/C25H45O3P/c1-5-7-9-10-11-12-13-14-15-18-21-27-29(26,22-8-6-2)28-25-20-17-16-19-24(25)23(3)4/h16-17,19-20,23H,5-15,18,21-22H2,1-4H3
InChIKey IFPZQSFZUDXQLI-UHFFFAOYSA-N
Mol Weight 424.6 g/mol
Molecular Formula C25H45O3P
Exact Mass 424.310632 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3uOfH7mHRRc
Name Butylphosphonic acid, dodecyl 2-isopropylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.310632304 u
Formula C25H45O3P
InChI InChI=1S/C25H45O3P/c1-5-7-9-10-11-12-13-14-15-18-21-27-29(26,22-8-6-2)28-25-20-17-16-19-24(25)23(3)4/h16-17,19-20,23H,5-15,18,21-22H2,1-4H3
InChIKey IFPZQSFZUDXQLI-UHFFFAOYSA-N
Molecular Weight 424.606 g/mol
SMILES C(COP(CCCC)(OC1=CC=CC=C1C(C)C)=O)CCCCCCCCCC