| SpectraBase Compound ID | J766lK7IP2B |
|---|---|
| InChI | InChI=1S/C12H12Cl2O4/c1-3-17-11(15)7-5-10(14)8(6-9(7)13)12(16)18-4-2/h5-6H,3-4H2,1-2H3 |
| InChIKey | NIBXAOXBKXLOOJ-UHFFFAOYSA-N |
| Mol Weight | 291.13 g/mol |
| Molecular Formula | C12H12Cl2O4 |
| Exact Mass | 290.011264 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 37GT3hDx8Rp |
|---|---|
| Name | 2,5-Dichloroterephthalic acid, diethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.011264262 u |
| Formula | C12H12Cl2O4 |
| InChI | InChI=1S/C12H12Cl2O4/c1-3-17-11(15)7-5-10(14)8(6-9(7)13)12(16)18-4-2/h5-6H,3-4H2,1-2H3 |
| InChIKey | NIBXAOXBKXLOOJ-UHFFFAOYSA-N |
| SMILES | C(=O)(C1=CC(=C(C(=O)OCC)C=C1Cl)Cl)OCC |
| Spectrum/Structure Validation Score (Raman) | 0.867883 |