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

View entire compound with spectra: 1 NMR

Phenylphosphonic acid, 2,4,4-trimethylpentyl decyl ester
SpectraBase Compound ID BZJxJI9JtWf
InChI InChI=1S/C24H43O3P/c1-6-7-8-9-10-11-12-16-19-26-28(25,23-17-14-13-15-18-23)27-21-22(2)20-24(3,4)5/h13-15,17-18,22H,6-12,16,19-21H2,1-5H3
InChIKey MPSJHUAVOVOWQZ-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C24H43O3P
Exact Mass 410.294982 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GvyFMPqUaM3
Name Phenylphosphonic acid, 2,4,4-trimethylpentyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.294982240 u
Formula C24H43O3P
InChI InChI=1S/C24H43O3P/c1-6-7-8-9-10-11-12-16-19-26-28(25,23-17-14-13-15-18-23)27-21-22(2)20-24(3,4)5/h13-15,17-18,22H,6-12,16,19-21H2,1-5H3
InChIKey MPSJHUAVOVOWQZ-UHFFFAOYSA-N
Molecular Weight 410.579 g/mol
SMILES C1(=CC=CC=C1)P(=O)(OCC(CC(C)(C)C)C)OCCCCCCCCCC