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Triphenylphosphineoxide-trichloroacetic acid complex

View entire compound with spectra: 2 NMR

Triphenylphosphineoxide-trichloroacetic acid complex
SpectraBase Compound ID Ju1Wxf9adKA
InChI InChI=1S/C20H16Cl3O3P/c21-20(22,23)19(24)25-28-26-27(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKey MDRMATBGPNALAY-UHFFFAOYSA-N
Mol Weight 442.69 g/mol
Molecular Formula C20H17Cl3O3P
Exact Mass 440.99809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3IXYNCoJZPO
Name Triphenylphosphineoxide-trichloroacetic acid complex
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.998089502 u
Formula C20H17Cl3O3P
InChI InChI=1S/C20H16Cl3O3P/c21-20(22,23)19(24)25-28-26-27(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKey MDRMATBGPNALAY-UHFFFAOYSA-N
Molecular Weight 442.686 g/mol
SMILES [OH](=P(c1ccccc1)(c1ccccc1)c1ccccc1)[H]OC(=O)C(Cl)(Cl)Cl