SpectraBase Compound ID | GmIXburdoTl |
---|---|
InChI | InChI=1S/C7H16/c1-6(2)7(3,4)5/h6H,1-5H3 |
InChIKey | ZISSAWUMDACLOM-UHFFFAOYSA-N |
Mol Weight | 100.2 g/mol |
Molecular Formula | C7H16 |
Exact Mass | 100.125201 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 |
Carbon-13 nuclear magnetic resonance spectrometry. Chemical shifts for the paraffins through C9 | Analytical Chemistry | 1971 |
This compound is available in the following databases:
This library enables fast and reliable identification of the latest illegal designer drugs. It is updated annually. Learn more.
Search your unknown spectrum against the world's largest collection of reference spectra
KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.