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p'-chlorobenzoin benzoate
SpectraBase Compound ID u9gpbE7iHf
InChI InChI=1S/C21H15ClO3/c22-18-13-11-15(12-14-18)19(23)20(16-7-3-1-4-8-16)25-21(24)17-9-5-2-6-10-17/h1-14,20H
InChIKey IUAVLJWCGRSVHG-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 4jLblg88yPH
Name p'-chlorobenzoin benzoate
Alternate Name(s) 2-(4-chlorophenyl)-2-oxo-1-phenylethyl benzoate
CAS Registry Number 114679-01-5
Comments Less than 3 mono-isotopic peaks
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Formula C21H15ClO3
InChI InChI=1S/C21H15ClO3/c22-18-13-11-15(12-14-18)19(23)20(16-7-3-1-4-8-16)25-21(24)17-9-5-2-6-10-17/h1-14,20H
InChIKey IUAVLJWCGRSVHG-UHFFFAOYSA-N
Molecular Weight 350.801 g/mol
SMILES C(OC(=O)c1ccccc1)(C(c1ccc(cc1)Cl)=O)c1ccccc1
SPLASH splash10-0a4i-0901000000-5cbe768da1feb8247dae
Source of Spectrum J-53-3358-8
Wiley ID 1342039