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Ethyl 3-cyano-3-(cyanomethyl)cyclohexanecarboxylate
SpectraBase Compound ID Bs3TfKLIEsN
InChI InChI=1S/C12H16N2O2/c1-2-16-11(15)10-4-3-5-12(8-10,9-14)6-7-13/h10H,2-6,8H2,1H3
InChIKey TZHLWBPZVISNOF-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C12H16N2O2
Exact Mass 220.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AJ3XeQKUbF0
Name Ethyl 3-cyano-3-(cyanomethyl)cyclohexanecarboxylate
CAS Registry Number 56975-26-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N2O2
InChI InChI=1S/C12H16N2O2/c1-2-16-11(15)10-4-3-5-12(8-10,9-14)6-7-13/h10H,2-6,8H2,1H3
InChIKey TZHLWBPZVISNOF-UHFFFAOYSA-N
Molecular Weight 220.272 g/mol
SMILES C(#N)C1(CC(C(=O)OCC)CCC1)CC#N
SPLASH splash10-0002-9200000000-4e666ee8e19774bcc160
Source of Spectrum AC-1979-155-0
Synonyms 3-cyano-3-(cyanomethyl)-1-cyclohexanecarboxylic acid ethyl ester Ethyl 3-cyano-3-(cyanomethyl)cyclohexane-1-carboxylate
Wiley ID 1219724