| SpectraBase Compound ID | H0oJWWWmas2 |
|---|---|
| InChI | InChI=1S/C12H12O4/c1-16-12(15)8-10(13)7-11(14)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3 |
| InChIKey | JENTWHKZLXBMNF-UHFFFAOYSA-N |
| Mol Weight | 220.22 g/mol |
| Molecular Formula | C12H12O4 |
| Exact Mass | 220.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6SRz2Z1lhIE |
|---|---|
| Name | Benzenepentanoic acid, .beta.,.delta.-dioxo-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.073558862 u |
| Formula | C12H12O4 |
| InChI | InChI=1S/C12H12O4/c1-16-12(15)8-10(13)7-11(14)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3 |
| InChIKey | JENTWHKZLXBMNF-UHFFFAOYSA-N |
| Molecular Weight | 220.224 g/mol |
| SMILES | COC(=O)CC(CC(=O)C1=CC=CC=C1)=O |