| SpectraBase Compound ID | ENIyLyRm9VA |
|---|---|
| InChI | InChI=1S/C9H10ClNOS/c1-2-12-9(13)11-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H,11,13) |
| InChIKey | DJIRVWFSXRUWTR-UHFFFAOYSA-N |
| Mol Weight | 215.7 g/mol |
| Molecular Formula | C9H10ClNOS |
| Exact Mass | 215.017163 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | ShJWTNLLMf |
|---|---|
| Name | p-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 | 215.017162819 u |
| Formula | C9H10ClNOS |
| InChI | InChI=1S/C9H10ClNOS/c1-2-12-9(13)11-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H,11,13) |
| InChIKey | DJIRVWFSXRUWTR-UHFFFAOYSA-N |
| SMILES | N(C1=CC=C(C=C1)Cl)C(OCC)=S |
| Spectrum/Structure Validation Score (Raman) | 0.75369 |