| SpectraBase Compound ID | VntwL0Hde1 |
|---|---|
| InChI | InChI=1S/C12H14O4/c1-16-12(15)5-3-2-4-9-8-10(13)6-7-11(9)14/h6-8H,2-5H2,1H3 |
| InChIKey | PNVHGSUOJIFJEI-UHFFFAOYSA-N |
| Mol Weight | 222.24 g/mol |
| Molecular Formula | C12H14O4 |
| Exact Mass | 222.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JLl2CHST86H |
|---|---|
| Name | 1,4-Cyclohexadiene-1-pentanoic acid, 3,6-dioxo-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.089208927 u |
| Formula | C12H14O4 |
| InChI | InChI=1S/C12H14O4/c1-16-12(15)5-3-2-4-9-8-10(13)6-7-11(9)14/h6-8H,2-5H2,1H3 |
| InChIKey | PNVHGSUOJIFJEI-UHFFFAOYSA-N |
| Molecular Weight | 222.240 g/mol |
| SMILES | COC(=O)CCCCC1=CC(=O)C=CC1=O |