| SpectraBase Compound ID | 4IzolRvACv4 |
|---|---|
| InChI | InChI=1S/C8H12O4/c1-6(3-4-7(9)10)5-8(11)12-2/h3-4,6H,5H2,1-2H3,(H,9,10)/b4-3+ |
| InChIKey | LKPCREFCOURSFD-ONEGZZNKSA-N |
| Mol Weight | 172.18 g/mol |
| Molecular Formula | C8H12O4 |
| Exact Mass | 172.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KrVlQWXupFo |
|---|---|
| Name | (E)-6-Keto-6-methoxy-4-methyl-hex-2-enoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.073558862 u |
| Formula | C8H12O4 |
| InChI | InChI=1S/C8H12O4/c1-6(3-4-7(9)10)5-8(11)12-2/h3-4,6H,5H2,1-2H3,(H,9,10)/b4-3+ |
| InChIKey | LKPCREFCOURSFD-ONEGZZNKSA-N |
| Molecular Weight | 172.180 g/mol |
| SMILES | C(\C=C\C(CC(=O)OC)C)(=O)O |