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

View entire compound with spectra: 1 NMR

Phenylphosphonic acid, 2,4,4-trimethylpentyl dodecyl ester
SpectraBase Compound ID 85Zn6LVDeZv
InChI InChI=1S/C26H47O3P/c1-6-7-8-9-10-11-12-13-14-18-21-28-30(27,25-19-16-15-17-20-25)29-23-24(2)22-26(3,4)5/h15-17,19-20,24H,6-14,18,21-23H2,1-5H3
InChIKey LJZZLAIGEUPHHJ-UHFFFAOYSA-N
Mol Weight 438.6 g/mol
Molecular Formula C26H47O3P
Exact Mass 438.326282 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7qJmWhK5SKN
Name Phenylphosphonic acid, 2,4,4-trimethylpentyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 438.326282368 u
Formula C26H47O3P
InChI InChI=1S/C26H47O3P/c1-6-7-8-9-10-11-12-13-14-18-21-28-30(27,25-19-16-15-17-20-25)29-23-24(2)22-26(3,4)5/h15-17,19-20,24H,6-14,18,21-23H2,1-5H3
InChIKey LJZZLAIGEUPHHJ-UHFFFAOYSA-N
Molecular Weight 438.633 g/mol
SMILES C1(=CC=CC=C1)P(OCCCCCCCCCCCC)(OCC(CC(C)(C)C)C)=O