| SpectraBase Compound ID | 1jfVCUdIh9a |
|---|---|
| InChI | InChI=1S/C8H6Cl2O4S/c1-14-8(11)7-5(9)3-2-4-6(7)15(10,12)13/h2-4H,1H3 |
| InChIKey | JCWPOAFRJQXRKG-UHFFFAOYSA-N |
| Mol Weight | 269.1 g/mol |
| Molecular Formula | C8H6Cl2O4S |
| Exact Mass | 267.936385 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6cCjpfYKugL |
|---|---|
| Name | Benzoic acid, 2-chloro-6-(chlorosulfonyl)-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.936385243 u |
| Formula | C8H6Cl2O4S |
| InChI | InChI=1S/C8H6Cl2O4S/c1-14-8(11)7-5(9)3-2-4-6(7)15(10,12)13/h2-4H,1H3 |
| InChIKey | JCWPOAFRJQXRKG-UHFFFAOYSA-N |
| SMILES | C1(=C(C=CC=C1Cl)S(=O)(Cl)=O)C(OC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.949935 |