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Methyl 4-[2-(2-Chloro-3-cyanopyrid-4-yl)ethyl]benzoate
SpectraBase Compound ID HnQV8GWDWC9
InChI InChI=1S/C16H13ClN2O2/c1-21-16(20)13-6-3-11(4-7-13)2-5-12-8-9-19-15(17)14(12)10-18/h3-4,6-9H,2,5H2,1H3
InChIKey OVEBOSPSLLHFLX-UHFFFAOYSA-N
Mol Weight 300.75 g/mol
Molecular Formula C16H13ClN2O2
Exact Mass 300.066555 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LiiY7opY5ie
Name Methyl 4-[2-(2-Chloro-3-cyanopyrid-4-yl)ethyl]benzoate
Alternate Name(s) Methyl 4-[2-(2-chloro-3-cyano-4-pyridinyl)ethyl]benzoate
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Formula C16H13ClN2O2
InChI InChI=1S/C16H13ClN2O2/c1-21-16(20)13-6-3-11(4-7-13)2-5-12-8-9-19-15(17)14(12)10-18/h3-4,6-9H,2,5H2,1H3
InChIKey OVEBOSPSLLHFLX-UHFFFAOYSA-N
Molecular Weight 300.745 g/mol
SMILES c1(c(nccc1CCc1ccc(C(=O)OC)cc1)Cl)C#N
SPLASH splash10-0002-1901000000-7e4b219f69553d64b299
Source of Spectrum O1-55-1684-10
Wiley ID 1591331