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Ethyl 3-(4-cyanophenyl)benzoate
SpectraBase Compound ID 51JAbEcSXuS
InChI InChI=1S/C16H13NO2/c1-2-19-16(18)15-5-3-4-14(10-15)13-8-6-12(11-17)7-9-13/h3-10H,2H2,1H3
InChIKey KPLMOZNBQVTKCS-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C16H13NO2
Exact Mass 251.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 92I4Urk0iCp
Name Ethyl 3-(4-cyanophenyl)benzoate
Alternate Name(s) 3-(4-cyanophenyl)benzoic acid ethyl ester Ethyl 4'-cyano[1,1'-biphenyl]-3-carboxylate
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Formula C16H13NO2
InChI InChI=1S/C16H13NO2/c1-2-19-16(18)15-5-3-4-14(10-15)13-8-6-12(11-17)7-9-13/h3-10H,2H2,1H3
InChIKey KPLMOZNBQVTKCS-UHFFFAOYSA-N
Molecular Weight 251.285 g/mol
SMILES C(c1cc(ccc1)-c1ccc(cc1)C#N)(=O)OCC
SPLASH splash10-0pb9-0390000000-43b449c792da79544c87
Source of Spectrum F-52-7216-14
Wiley ID 796638