| SpectraBase Compound ID | 8TovdhX2YAx |
|---|---|
| InChI | InChI=1S/C10H9ClO4/c1-14-9(12)6-4-3-5-7(11)8(6)10(13)15-2/h3-5H,1-2H3 |
| InChIKey | KOKARLQQVBKCKH-UHFFFAOYSA-N |
| Mol Weight | 228.63 g/mol |
| Molecular Formula | C10H9ClO4 |
| Exact Mass | 228.018936 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 | 22Hqxu0BaPf |
|---|---|
| Name | 3-Chlorobenzene-1,2-dicarboxylic acid dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.018936466 u |
| Formula | C10H9ClO4 |
| InChI | InChI=1S/C10H9ClO4/c1-14-9(12)6-4-3-5-7(11)8(6)10(13)15-2/h3-5H,1-2H3 |
| InChIKey | KOKARLQQVBKCKH-UHFFFAOYSA-N |
| Molecular Weight | 228.631 g/mol |
| SMILES | COC(=O)C1=C(C(OC)=O)C=CC=C1Cl |