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Benzoic acid, 4-(4-benzoylphenoxy)-, 2-oxo-2-phenylethyl ester

View entire compound with spectra: 2 NMR

Benzoic acid, 4-(4-benzoylphenoxy)-, 2-oxo-2-phenylethyl ester
SpectraBase Compound ID DNwUhT7b7N3
InChI InChI=1S/C28H20O5/c29-26(20-7-3-1-4-8-20)19-32-28(31)23-13-17-25(18-14-23)33-24-15-11-22(12-16-24)27(30)21-9-5-2-6-10-21/h1-18H,19H2
InChIKey PXBITLSQSGVCEZ-UHFFFAOYSA-N
Mol Weight 436.46 g/mol
Molecular Formula C28H20O5
Exact Mass 436.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BLT2CwDOMOe
Name Benzoic acid, 4-(4-benzoylphenoxy)-, 2-oxo-2-phenylethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 436.131073739 u
Formula C28H20O5
InChI InChI=1S/C28H20O5/c29-26(20-7-3-1-4-8-20)19-32-28(31)23-13-17-25(18-14-23)33-24-15-11-22(12-16-24)27(30)21-9-5-2-6-10-21/h1-18H,19H2
InChIKey PXBITLSQSGVCEZ-UHFFFAOYSA-N
Molecular Weight 436.463 g/mol
SMILES C(OCC(=O)C=1C=CC=CC1)(C=1C=CC(OC2=CC=C(C(=O)C=3C=CC=CC3)C=C2)=CC1)=O