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Methyl (2-chloro-2-cyanoethyl)-1-cyclohexanecarboxylate
SpectraBase Compound ID D4SovtuIpdh
InChI InChI=1S/C11H16ClNO2/c1-15-10(14)11(7-9(12)8-13)5-3-2-4-6-11/h9H,2-7H2,1H3
InChIKey BGENJCXYQIRHOK-UHFFFAOYSA-N
Mol Weight 229.71 g/mol
Molecular Formula C11H16ClNO2
Exact Mass 229.086956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KbQV9GduClw
Name Methyl (2-chloro-2-cyanoethyl)-1-cyclohexanecarboxylate
Alternate Name(s) methyl 1-(2-chloro-2-cyanoethyl)cyclohexanecarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C11H16ClNO2
InChI InChI=1S/C11H16ClNO2/c1-15-10(14)11(7-9(12)8-13)5-3-2-4-6-11/h9H,2-7H2,1H3
InChIKey BGENJCXYQIRHOK-UHFFFAOYSA-N
Molecular Weight 229.707 g/mol
SMILES C1(C(=O)OC)(CC(C#N)Cl)CCCCC1
SPLASH splash10-0002-9000000000-9de378caa1c8c4cd880a
Source of Spectrum F-48-6367-8
Wiley ID 1230625