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.alpha.-(Diphenylphosphoryloxy)-4-bromoacetophenone

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

.alpha.-(Diphenylphosphoryloxy)-4-bromoacetophenone
SpectraBase Compound ID J5LjIPnY38l
InChI InChI=1S/C20H16BrO5P/c21-17-13-11-16(12-14-17)20(22)15-24-27(23,25-18-7-3-1-4-8-18)26-19-9-5-2-6-10-19/h1-14H,15H2
InChIKey CBZSTXVHJITSFK-UHFFFAOYSA-N
Mol Weight 447.22 g/mol
Molecular Formula C20H16BrO5P
Exact Mass 445.991874 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BWZJXthodpz
Name .alpha.-(Diphenylphosphoryloxy)-4-bromoacetophenone
Comments Computed using HOSE algorithm
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Exact Mass 445.991873608 u
Formula C20H16BrO5P
InChI InChI=1S/C20H16BrO5P/c21-17-13-11-16(12-14-17)20(22)15-24-27(23,25-18-7-3-1-4-8-18)26-19-9-5-2-6-10-19/h1-14H,15H2
InChIKey CBZSTXVHJITSFK-UHFFFAOYSA-N
Molecular Weight 447.221 g/mol
SMILES C(OP(OC=1C=CC=CC1)(OC=1C=CC=CC1)=O)C(C1=CC=C(Br)C=C1)=O