BMMCBZ1Sg020
From Metabolomics.JP
(Difference between revisions)
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|SysName=Benzyl 2-methyl-3-oxo-butanoic acid | |SysName=Benzyl 2-methyl-3-oxo-butanoic acid | ||
|Common Name=&&Benzyl 2-methyl-3-oxobutanoate&& | |Common Name=&&Benzyl 2-methyl-3-oxobutanoate&& | ||
| − | |CAS= | + | |CAS=851180-98-8 |
|KEGG=C04000 | |KEGG=C04000 | ||
}} | }} | ||
Revision as of 09:00, 14 July 2008
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 851180-98-8 |
| KEGG | C04000 |
| KNApSAcK | |
| CDX file | |
| MOL file | BMMCBZ1Sg020.mol |
| Benzyl 2-methyl-3-oxobutanoate | |
|---|---|
| |
| Structural Information | |
| Systematic Name | Benzyl 2-methyl-3-oxo-butanoic acid |
| Common Name |
|
| Symbol | |
| Formula | C12H14O3 |
| Exact Mass | 206.0942 |
| Average Mass | 206.2377 |
| SMILES | CC(=O)C(C)C(=O)OCc(c1)cccc1 |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
Related Atomic Mappings, Enzymes, and Pathways
