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p-chlorobenzoin benzoate

View entire compound with spectra: 1 MS (GC)

p-chlorobenzoin benzoate
SpectraBase Compound ID ADljg4qGZBU
InChI InChI=1S/C21H15ClO3/c22-18-13-11-16(12-14-18)20(19(23)15-7-3-1-4-8-15)25-21(24)17-9-5-2-6-10-17/h1-14,20H
InChIKey PDSOTZZWMVTHLQ-UHFFFAOYSA-N
Mol Weight 350.8 g/mol
Molecular Formula C21H15ClO3
Exact Mass 350.070972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1MeEfbLpn48
Name p-chlorobenzoin benzoate
Alternate Name(s) 1-(4-chlorophenyl)-2-oxo-2-phenylethyl benzoate benzoic acid [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] ester [1-(4-chlorophenyl)-2-oxo-2-phenylethyl] benzoate [1-(4-chlorophenyl)-2-oxo-2-phenyl-ethyl] benzoate [1-(4-chlorophenyl)-2-oxidanylidene-2-phenyl-ethyl] benzoate
CAS Registry Number 114679-00-4
Comments Less than 3 mono-isotopic peaks
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Formula C21H15ClO3
InChI InChI=1S/C21H15ClO3/c22-18-13-11-16(12-14-18)20(19(23)15-7-3-1-4-8-15)25-21(24)17-9-5-2-6-10-17/h1-14,20H
InChIKey PDSOTZZWMVTHLQ-UHFFFAOYSA-N
Molecular Weight 350.801 g/mol
SMILES C(OC(=O)c1ccccc1)(C(=O)c1ccccc1)c1ccc(cc1)Cl
SPLASH splash10-03di-0090000000-7843766ff9373016d789
Source of Spectrum J-53-3358-7
Wiley ID 1342038