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Butylphosphonic acid, cyclohexylmethyl hexadecyl ester

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Butylphosphonic acid, cyclohexylmethyl hexadecyl ester
SpectraBase Compound ID GZ94H8MAsXQ
InChI InChI=1S/C27H55O3P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-21-24-29-31(28,25-6-4-2)30-26-27-22-19-18-20-23-27/h27H,3-26H2,1-2H3
InChIKey NAXPDQVPLGKDTR-UHFFFAOYSA-N
Mol Weight 458.7 g/mol
Molecular Formula C27H55O3P
Exact Mass 458.388883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CS6rIY5oEeo
Name Butylphosphonic acid, cyclohexylmethyl hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.388882626 u
Formula C27H55O3P
InChI InChI=1S/C27H55O3P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-21-24-29-31(28,25-6-4-2)30-26-27-22-19-18-20-23-27/h27H,3-26H2,1-2H3
InChIKey NAXPDQVPLGKDTR-UHFFFAOYSA-N
Molecular Weight 458.708 g/mol
SMILES CCCCCCCCCCCCCCCCOP(OCC1CCCCC1)(CCCC)=O