SpectraBase Compound ID | 7XTQ0W1R1tC |
---|---|
InChI | InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3 |
InChIKey | AFABGHUZZDYHJO-UHFFFAOYSA-N |
Mol Weight | 86.18 g/mol |
Molecular Formula | C6H14 |
Exact Mass | 86.10955 g/mol |
Title | Journal or Book | Year |
---|---|---|
Predictions of 13C chemical shifts in carbocations. The use of scaled chemical shifts calculated using GIAO DFT methods † | Journal of the Chemical Society, Perkin Transactions 2 | 1999 |
Analysis of 13C nuclear magnetic resonance chemical shifts of acyclic hydrocarbons | Canadian Journal of Chemistry | 1980 |
Conformational and configurational analysis of hydrocarbon chains based on time-averaged carbon-13 chemical shifts | Canadian Journal of Chemistry | 1977 |
Application of carbon-13 nuclear magnetic resonance spectroscopy to the analysis of charge distribution patterns in unsaturated carbonyl-containing compounds | Journal of the American Chemical Society | 1976 |
Carbon-13 nuclear magnetic resonance spectrometry. Chemical shifts for the paraffins through C9 | Analytical Chemistry | 1971 |
Carbon-13 Magnetic Resonance. II. Chemical Shift Data for the Alkanes | Journal of the American Chemical Society | 1964 |
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