| SpectraBase Compound ID | Cd2cL00iFWf |
|---|---|
| InChI | InChI=1S/C9H9BrClNOS/c1-2-13-9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,14) |
| InChIKey | INPCWRAKGWTIRB-UHFFFAOYSA-N |
| Mol Weight | 294.59 g/mol |
| Molecular Formula | C9H9BrClNOS |
| Exact Mass | 292.927676 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GKqnouMEFuv |
|---|---|
| Name | 4-Bromo-3-chlorothiocarbanilic acid, o-ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.927675787 u |
| Formula | C9H9BrClNOS |
| InChI | InChI=1S/C9H9BrClNOS/c1-2-13-9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,14) |
| InChIKey | INPCWRAKGWTIRB-UHFFFAOYSA-N |
| SMILES | N(C1=CC=C(C(=C1)Cl)Br)C(OCC)=S |
| Spectrum/Structure Validation Score (Raman) | 0.881136 |