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Phenylphosphonic acid, dodecyl hexyl ester

View entire compound with spectra: 1 NMR

Phenylphosphonic acid, dodecyl hexyl ester
SpectraBase Compound ID IUgvTwgkVsV
InChI InChI=1S/C24H43O3P/c1-3-5-7-9-10-11-12-13-14-19-23-27-28(25,24-20-16-15-17-21-24)26-22-18-8-6-4-2/h15-17,20-21H,3-14,18-19,22-23H2,1-2H3
InChIKey VVXCOIHSAIBOHO-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 3PucLjhsTeV
Name Phenylphosphonic acid, dodecyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.294982240 u
Formula C24H43O3P
InChI InChI=1S/C24H43O3P/c1-3-5-7-9-10-11-12-13-14-19-23-27-28(25,24-20-16-15-17-21-24)26-22-18-8-6-4-2/h15-17,20-21H,3-14,18-19,22-23H2,1-2H3
InChIKey VVXCOIHSAIBOHO-UHFFFAOYSA-N
Molecular Weight 410.579 g/mol
SMILES C1(=CC=CC=C1)P(OCCCCCCCCCCCC)(=O)OCCCCCC