| SpectraBase Compound ID | BH0TGppeU8y |
|---|---|
| InChI | InChI=1S/C8H6Cl2O3/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,11H,1H3 |
| InChIKey | UKMOOQFHBGTLAO-UHFFFAOYSA-N |
| Mol Weight | 221.04 g/mol |
| Molecular Formula | C8H6Cl2O3 |
| Exact Mass | 219.969399 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3Mdl89fesaq |
|---|---|
| Name | 3,5-Dichloro-4-hydroxy-benzoic acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.969399450 u |
| Formula | C8H6Cl2O3 |
| InChI | InChI=1S/C8H6Cl2O3/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,11H,1H3 |
| InChIKey | UKMOOQFHBGTLAO-UHFFFAOYSA-N |
| SMILES | C=1(O)C(=CC(=CC1Cl)C(=O)OC)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965016 |