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Phenylphosphonic acid, dodecyl octyl ester

View entire compound with spectra: 1 NMR

Phenylphosphonic acid, dodecyl octyl ester
SpectraBase Compound ID 3JeIj3bTfd7
InChI InChI=1S/C26H47O3P/c1-3-5-7-9-11-12-13-14-16-21-25-29-30(27,26-22-18-17-19-23-26)28-24-20-15-10-8-6-4-2/h17-19,22-23H,3-16,20-21,24-25H2,1-2H3
InChIKey ZSSDAERINUPIJA-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 5YqBeQ7gJQQ
Name Phenylphosphonic acid, dodecyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 438.326282368 u
Formula C26H47O3P
InChI InChI=1S/C26H47O3P/c1-3-5-7-9-11-12-13-14-16-21-25-29-30(27,26-22-18-17-19-23-26)28-24-20-15-10-8-6-4-2/h17-19,22-23H,3-16,20-21,24-25H2,1-2H3
InChIKey ZSSDAERINUPIJA-UHFFFAOYSA-N
Molecular Weight 438.633 g/mol
SMILES C1(=CC=CC=C1)P(OCCCCCCCC)(OCCCCCCCCCCCC)=O