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Butylphosphonic acid, 2-phenylethyl undecyl ester

View entire compound with spectra: 1 NMR

Butylphosphonic acid, 2-phenylethyl undecyl ester
SpectraBase Compound ID B1jmxaRRa1V
InChI InChI=1S/C23H41O3P/c1-3-5-7-8-9-10-11-12-16-20-25-27(24,22-6-4-2)26-21-19-23-17-14-13-15-18-23/h13-15,17-18H,3-12,16,19-22H2,1-2H3
InChIKey ZGJXMTAHWIIGFP-UHFFFAOYSA-N
Mol Weight 396.6 g/mol
Molecular Formula C23H41O3P
Exact Mass 396.279332 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GZwzIoFll4H
Name Butylphosphonic acid, 2-phenylethyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.279332175 u
Formula C23H41O3P
InChI InChI=1S/C23H41O3P/c1-3-5-7-8-9-10-11-12-16-20-25-27(24,22-6-4-2)26-21-19-23-17-14-13-15-18-23/h13-15,17-18H,3-12,16,19-22H2,1-2H3
InChIKey ZGJXMTAHWIIGFP-UHFFFAOYSA-N
Molecular Weight 396.552 g/mol
SMILES C(OP(CCCC)(=O)OCCCCCCCCCCC)CC1=CC=CC=C1