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

View entire compound with spectra: 1 NMR

Phenylphosphonic acid, 2,4,4-trimethylpentyl octyl ester
SpectraBase Compound ID GlEbUKpI1nv
InChI InChI=1S/C22H39O3P/c1-6-7-8-9-10-14-17-24-26(23,21-15-12-11-13-16-21)25-19-20(2)18-22(3,4)5/h11-13,15-16,20H,6-10,14,17-19H2,1-5H3
InChIKey MUHLFZNMHULFIN-UHFFFAOYSA-N
Mol Weight 382.5 g/mol
Molecular Formula C22H39O3P
Exact Mass 382.263682 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9qCB3RDJ5M0
Name Phenylphosphonic acid, 2,4,4-trimethylpentyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.263682111 u
Formula C22H39O3P
InChI InChI=1S/C22H39O3P/c1-6-7-8-9-10-14-17-24-26(23,21-15-12-11-13-16-21)25-19-20(2)18-22(3,4)5/h11-13,15-16,20H,6-10,14,17-19H2,1-5H3
InChIKey MUHLFZNMHULFIN-UHFFFAOYSA-N
Molecular Weight 382.525 g/mol
SMILES C1(=CC=CC=C1)P(OCCCCCCCC)(OCC(CC(C)(C)C)C)=O