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Benzeneacetonitrile, .alpha.-(benzoyloxy)-4-chloro-
SpectraBase Compound ID Kzi7Cur6Edn
InChI InChI=1S/C15H10ClNO2/c16-13-8-6-11(7-9-13)14(10-17)19-15(18)12-4-2-1-3-5-12/h1-9,14H
InChIKey JIXHRDQEHLUULV-UHFFFAOYSA-N
Mol Weight 271.7 g/mol
Molecular Formula C15H10ClNO2
Exact Mass 271.040006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G5jFOvkRIeX
Name Benzeneacetonitrile, .alpha.-(benzoyloxy)-4-chloro-
Alternate Name(s) (4-Chlorophenyl)(cyano)methyl benzoate Mandelonitrile, p-chloro-, benzoate (ester) benzoic acid [(4-chlorophenyl)-cyanomethyl] ester [(4-chlorophenyl)-cyanomethyl] benzoate [(4-chlorophenyl)-cyano-methyl] benzoate
CAS Registry Number 19788-56-8
Comments Less than 3 mono-isotopic peaks
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Formula C15H10ClNO2
InChI InChI=1S/C15H10ClNO2/c16-13-8-6-11(7-9-13)14(10-17)19-15(18)12-4-2-1-3-5-12/h1-9,14H
InChIKey JIXHRDQEHLUULV-UHFFFAOYSA-N
Molecular Weight 271.703 g/mol
SMILES C(OC(C#N)c1ccc(cc1)Cl)(=O)c1ccccc1
SPLASH splash10-0a4i-0920000000-17efe53b76420ff430bf
Source of Spectrum SO-0-1189-3
Wiley ID 873954