1-Butyn-3-one, 1-(6,6-dimethyl-1,2-epoxycyclohexyl)-

Formula: C₁₂H₁₆O₂
Molecular weight: 192.2542
IUPAC Standard InChI: InChI=1S/C12H16O2/c1-9(13)6-8-12-10(14-12)5-4-7-11(12,2)3/h10H,4-5,7H2,1-3H3
IUPAC Standard InChIKey: ITPNMZLJZQEEOU-UHFFFAOYSA-N
Chemical structure:
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Gas Chromatography

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

Normal alkane RI, non-polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	RTX-5	1462.	Setkova, Risticevic, et al., 2007	10. m/0.18 mm/0.2 μm, He, 40. C @ 0.5 min, 50. K/min, 275. C @ 0.5 min

References

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Setkova, Risticevic, et al., 2007
Setkova, L.; Risticevic, S.; Pawliszyn, J., Rapid headspace solid-phase microextraction-gas chromatographic?time-of-flight mass spectrometric method for qualitative profiling of ice wine volatile fraction II: Classification of Canadian and Czech ice wines using statistical evaluation of the data, J. Chromatogr. A, 2007, 1147, 2, 224-240, https://doi.org/10.1016/j.chroma.2007.02.052 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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