| SpectraBase Compound ID | J04Q4rrhdU6 |
|---|---|
| InChI | InChI=1S/C8H6Cl2O2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3 |
| InChIKey | BTEVDFJXGLQUDS-UHFFFAOYSA-N |
| Mol Weight | 205.04 g/mol |
| Molecular Formula | C8H6Cl2O2 |
| Exact Mass | 203.974485 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9NklMxqQSL9 |
|---|---|
| Name | Methyl 3,5-dichlorobenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.974484831 u |
| Formula | C8H6Cl2O2 |
| InChI | InChI=1S/C8H6Cl2O2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3 |
| InChIKey | BTEVDFJXGLQUDS-UHFFFAOYSA-N |
| SMILES | C=1(Cl)C=C(C=C(C1)C(=O)OC)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.85471 |