Methanone, dicyclohexyl-

Formula: C₁₃H₂₂O
Molecular weight: 194.3132
IUPAC Standard InChI: InChI=1S/C13H22O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
IUPAC Standard InChIKey: TWXWPPKDQOWNSX-UHFFFAOYSA-N
CAS Registry Number: 119-60-8
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: Cyclohexyl ketone; Cyclohexane ketone; Dicyclohexyl ketone; Ketone, dicyclohexyl
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Other data available:
- Phase change data
- Mass spectrum (electron ionization)
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IR Spectrum

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

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Owner	NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.
Origin	Sadtler Research Labs Under US-EPA Contract
State	gas

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

Column type	Active phase	Temperature (C)	I	Reference	Comment
Packed	SE-30	120.	1535.	Pascal, Heintz, et al., 1974	Column length: 2. m
Packed	SE-30	140.	1550.	Pascal, Heintz, et al., 1974	Column length: 2. m
Packed	SE-30	160.	1565.	Pascal, Heintz, et al., 1974	Column length: 2. m

Column type	Active phase	Temperature (C)	I	Reference	Comment
Packed	Carbowax 20M	120.	1883.	Pascal, Heintz, et al., 1974	Column length: 2. m
Packed	Carbowax 20M	140.	1920.	Pascal, Heintz, et al., 1974	Column length: 2. m
Packed	Carbowax 20M	160.	1957.	Pascal, Heintz, et al., 1974	Column length: 2. m

Column type	Active phase	I	Reference	Comment
Capillary	ZB-1 MS	1576.	Al-Reza, Rahman, et al., 2009	30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C 3 0C/min -> 150 0C (10 min) 10 0C/min -> 250 0C

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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]

Al-Reza, Rahman, et al., 2009
Al-Reza, S.M.; Rahman, A.; Kang, S.C., Chemical composition and inhibitory effect of essentiasl oil and organic extracts of Cestrum nocturnum L. om food-borne pathogens, Int. J. Food Sci. Technol., 2009, 44, 6, 1176-1182, https://doi.org/10.1111/j.1365-2621.2009.01939.x . [all data]

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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