LBF11109BC01
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=DFA7074 | |LipidBank=DFA7074 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA7074 |
| LipidMaps | LMFA01020106 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF11109BC01.mol |
| |
| Structural Information | |
| Systematic Name | 5-Methyl-2-Undecenoic Acid |
| Common Name | |
| Symbol | |
| Formula | C12H22O2 |
| Exact Mass | 198.16197994799998 |
| Average Mass | 198.30187999999998 |
| SMILES | CCCCCCC(C)CC=CC(O)=O |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | 162-163°C/7mmHg <<7021>> |
| Density | |
| Optical Rotation | h25/D: 1.4596 <<7021>> |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | lmax: 210nm, emax: 13160<<7021>> |
| IR Spectra | C=O: 1704cm-1, C=C: 1653cm-1, Methyl: 1379cm-1<<7022>> |
| NMR Spectra | |
| Chromatograms | |
