Acetic acid, 2-cyano-2-[1-methyl-4-(1,1-dimethylethyl)cyclohexyl], ethyl ester, # 1
- 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
- IUPAC Standard InChIKey: YIKKFVFXWIZXKG-UHFFFAOYSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Other names: Cyanoacetic acid, 1-methyl-4-tert.-butylcyclohexyl, ethyl ester, (a)
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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
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | SE-30 | 120. | 1729. | Pascal, Heintz, et al., 1974 | Column length: 2. m |
| Packed | SE-30 | 140. | 1743. | Pascal, Heintz, et al., 1974 | Column length: 2. m |
| Packed | SE-30 | 160. | 1757. | Pascal, Heintz, et al., 1974 | Column length: 2. m |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Carbowax 20M | 120. | 2166. | Pascal, Heintz, et al., 1974 | Column length: 2. m |
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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