| SpectraBase Compound ID | AplBk8hnYmw |
|---|---|
| InChI | InChI=1S/C11H13ClO4/c1-6-9(11(13)16-4)7(14-2)5-8(15-3)10(6)12/h5H,1-4H3 |
| InChIKey | DQEGXDUXILWYET-UHFFFAOYSA-N |
| Mol Weight | 244.67 g/mol |
| Molecular Formula | C11H13ClO4 |
| Exact Mass | 244.050237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ElCiQzltffk |
|---|---|
| Name | Methyl 3-chloro-4,6-dimethoxy-2-methylbenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.050236595 u |
| Formula | C11H13ClO4 |
| InChI | InChI=1S/C11H13ClO4/c1-6-9(11(13)16-4)7(14-2)5-8(15-3)10(6)12/h5H,1-4H3 |
| InChIKey | DQEGXDUXILWYET-UHFFFAOYSA-N |
| Molecular Weight | 244.674 g/mol |
| SMILES | C(C=1C(=C(C(=CC1OC)OC)Cl)C)(=O)OC |