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Phenylphosphonic acid, dodecyl heptyl ester

View entire compound with spectra: 1 NMR

Phenylphosphonic acid, dodecyl heptyl ester
SpectraBase Compound ID tnrQ8e78Vx
InChI InChI=1S/C25H45O3P/c1-3-5-7-9-10-11-12-13-15-20-24-28-29(26,25-21-17-16-18-22-25)27-23-19-14-8-6-4-2/h16-18,21-22H,3-15,19-20,23-24H2,1-2H3
InChIKey LREJQGUIXXJNOI-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 DtSQZa5M8u7
Name Phenylphosphonic acid, dodecyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.310632304 u
Formula C25H45O3P
InChI InChI=1S/C25H45O3P/c1-3-5-7-9-10-11-12-13-15-20-24-28-29(26,25-21-17-16-18-22-25)27-23-19-14-8-6-4-2/h16-18,21-22H,3-15,19-20,23-24H2,1-2H3
InChIKey LREJQGUIXXJNOI-UHFFFAOYSA-N
Molecular Weight 424.606 g/mol
SMILES C1(=CC=CC=C1)P(=O)(OCCCCCCC)OCCCCCCCCCCCC