Acetic acid, 2-cyano-2-[1-methyl-4-(1,1-dimethylethyl)cyclohexyl], ethyl ester, # 2

• Formula: C₁₆H₂₇NO₂
• Molecular weight: 265.3911
• IUPAC Standard InChI: InChI=1S/C16H27NO2/c1-6-19-14(18)13(11-17)16(5)9-7-12(8-10-16)15(2,3)4/h12-13H,6-10H2,1-5H3 Copy

  
• IUPAC Standard InChIKey: YIKKFVFXWIZXKG-UHFFFAOYSA-N Copy
• Chemical structure:
  This structure is also available as a 2d Mol file
• Species with the same structure:
  • Acetic acid, 2-cyano-2-[1-methyl-4-(1,1-dimethylethyl)cyclohexyl], ethyl ester, # 1
• Other names: Cycanoacetic acid, 1-methyl-4-tert.-butylcyclohexyl, ethyl ester, (e)
• Information on this page:
  • Gas Chromatography
  • References
  • Notes
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Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Pascal, Heintz, et al., 1974
Pascal, J.C.; Heintz, M.; Druilhe, A.; Lefort, D., Relations entre structure chimique et grandeurs de rétention. III. Stéréoisomères cyclohexaniques, Chromatographia, 1974, 7, 5, 236-245, https://doi.org/10.1007/BF02321774 . [all data]

Notes

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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