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

View entire compound with spectra: 1 NMR

Phenylphosphonic acid, 2,4,4-trimethylpentyl pentyl ester
SpectraBase Compound ID IbN4eUanfO
InChI InChI=1S/C19H33O3P/c1-6-7-11-14-21-23(20,18-12-9-8-10-13-18)22-16-17(2)15-19(3,4)5/h8-10,12-13,17H,6-7,11,14-16H2,1-5H3
InChIKey MDXRZQIAEGNFCH-UHFFFAOYSA-N
Mol Weight 340.4 g/mol
Molecular Formula C19H33O3P
Exact Mass 340.216732 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KSqxuE8FtCg
Name Phenylphosphonic acid, 2,4,4-trimethylpentyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 340.216731918 u
Formula C19H33O3P
InChI InChI=1S/C19H33O3P/c1-6-7-11-14-21-23(20,18-12-9-8-10-13-18)22-16-17(2)15-19(3,4)5/h8-10,12-13,17H,6-7,11,14-16H2,1-5H3
InChIKey MDXRZQIAEGNFCH-UHFFFAOYSA-N
Molecular Weight 340.444 g/mol
SMILES C1(=CC=CC=C1)P(OCCCCC)(OCC(CC(C)(C)C)C)=O