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Phenylphosphonic acid, 2,4,4-trimethylpentyl undecyl ester

View entire compound with spectra: 1 NMR

Phenylphosphonic acid, 2,4,4-trimethylpentyl undecyl ester
SpectraBase Compound ID AXWoQuA14Qt
InChI InChI=1S/C25H45O3P/c1-6-7-8-9-10-11-12-13-17-20-27-29(26,24-18-15-14-16-19-24)28-22-23(2)21-25(3,4)5/h14-16,18-19,23H,6-13,17,20-22H2,1-5H3
InChIKey UINHXYKRLXEPNO-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 8Zh2ELCOA
Name Phenylphosphonic acid, 2,4,4-trimethylpentyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.310632304 u
Formula C25H45O3P
InChI InChI=1S/C25H45O3P/c1-6-7-8-9-10-11-12-13-17-20-27-29(26,24-18-15-14-16-19-24)28-22-23(2)21-25(3,4)5/h14-16,18-19,23H,6-13,17,20-22H2,1-5H3
InChIKey UINHXYKRLXEPNO-UHFFFAOYSA-N
Molecular Weight 424.606 g/mol
SMILES C1(=CC=CC=C1)P(OCC(CC(C)(C)C)C)(OCCCCCCCCCCC)=O