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Butylphosphonic acid, decyl 2-isopropylphenyl ester

View entire compound with spectra: 1 NMR

Butylphosphonic acid, decyl 2-isopropylphenyl ester
SpectraBase Compound ID IP0oEHoKHjs
InChI InChI=1S/C23H41O3P/c1-5-7-9-10-11-12-13-16-19-25-27(24,20-8-6-2)26-23-18-15-14-17-22(23)21(3)4/h14-15,17-18,21H,5-13,16,19-20H2,1-4H3
InChIKey WXTWSHFVNDMYKU-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 JZSmJPU7JrA
Name Butylphosphonic acid, decyl 2-isopropylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.279332175 u
Formula C23H41O3P
InChI InChI=1S/C23H41O3P/c1-5-7-9-10-11-12-13-16-19-25-27(24,20-8-6-2)26-23-18-15-14-17-22(23)21(3)4/h14-15,17-18,21H,5-13,16,19-20H2,1-4H3
InChIKey WXTWSHFVNDMYKU-UHFFFAOYSA-N
Molecular Weight 396.552 g/mol
SMILES CCCCCCCCCCOP(OC1=CC=CC=C1C(C)C)(CCCC)=O