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Phosphinic acid, diphenyl-, 1-(diphenylphosphinyl)-3,3,3-trifluoro-2-oxo-1-(trifluoromethyl)propy l ester
SpectraBase Compound ID KGX67aWTI6v
InChI InChI=1S/C28H20F6O4P2/c29-27(30,31)25(35)26(28(32,33)34,39(36,21-13-5-1-6-14-21)22-15-7-2-8-16-22)38-40(37,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKey YQFZQTPGXOZYQJ-UHFFFAOYSA-N
Mol Weight 596.4 g/mol
Molecular Formula C28H20F6O4P2
Exact Mass 596.074102 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID a3Y3qdiqlo
Name Phosphinic acid, diphenyl-, 1-(diphenylphosphinyl)-3,3,3-trifluoro-2-oxo-1-(trifluoromethyl)propy L ester
Comments Computed using HOSE algorithm
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Exact Mass 596.074102094 u
Formula C28H20F6O4P2
InChI InChI=1S/C28H20F6O4P2/c29-27(30,31)25(35)26(28(32,33)34,39(36,21-13-5-1-6-14-21)22-15-7-2-8-16-22)38-40(37,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKey YQFZQTPGXOZYQJ-UHFFFAOYSA-N
Molecular Weight 596.402 g/mol
SMILES C(C(C(F)(F)F)=O)(P(=O)(C1=CC=CC=C1)C=1C=CC=CC1)(OP(=O)(C1=CC=CC=C1)C1=CC=CC=C1)C(F)(F)F