| SpectraBase Compound ID | 7JMZQrKjGWE |
|---|---|
| InChI | InChI=1S/C10H12ClNOS/c1-2-6-14-10(13)12-9-5-3-4-8(11)7-9/h3-5,7H,2,6H2,1H3,(H,12,13) |
| InChIKey | SLIOGZBKHPSYOD-UHFFFAOYSA-N |
| Mol Weight | 229.72 g/mol |
| Molecular Formula | C10H12ClNOS |
| Exact Mass | 229.032813 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Jky0tp28Qi9 |
|---|---|
| Name | m-Chlorothiocarbanilic acid, S-propyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.032812883 u |
| Formula | C10H12ClNOS |
| InChI | InChI=1S/C10H12ClNOS/c1-2-6-14-10(13)12-9-5-3-4-8(11)7-9/h3-5,7H,2,6H2,1H3,(H,12,13) |
| InChIKey | SLIOGZBKHPSYOD-UHFFFAOYSA-N |
| SMILES | N(C1=CC=CC(=C1)Cl)C(SCCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.964322 |