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Butylphosphonic acid, hexadecyl phenyl ester

View entire compound with spectra: 1 NMR

Butylphosphonic acid, hexadecyl phenyl ester
SpectraBase Compound ID LPvUG9gfwfx
InChI InChI=1S/C26H47O3P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-21-24-28-30(27,25-6-4-2)29-26-22-19-18-20-23-26/h18-20,22-23H,3-17,21,24-25H2,1-2H3
InChIKey NPTFVZLPGWWPEB-UHFFFAOYSA-N
Mol Weight 438.6 g/mol
Molecular Formula C26H47O3P
Exact Mass 438.326282 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AZ0S49cXCLZ
Name Butylphosphonic acid, hexadecyl phenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.326282368 u
Formula C26H47O3P
InChI InChI=1S/C26H47O3P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-21-24-28-30(27,25-6-4-2)29-26-22-19-18-20-23-26/h18-20,22-23H,3-17,21,24-25H2,1-2H3
InChIKey NPTFVZLPGWWPEB-UHFFFAOYSA-N
Molecular Weight 438.633 g/mol
SMILES CCCCCCCCCCCCCCCCOP(CCCC)(=O)OC1=CC=CC=C1