| SpectraBase Compound ID | BRrNCOS0Jvu |
|---|---|
| InChI | InChI=1S/C14H13ClN2OS/c1-19-13-7-3-6-12(9-13)17-14(18)16-11-5-2-4-10(15)8-11/h2-9H,1H3,(H2,16,17,18) |
| InChIKey | PMJRKFZITNWBRI-UHFFFAOYSA-N |
| Mol Weight | 292.78 g/mol |
| Molecular Formula | C14H13ClN2OS |
| Exact Mass | 292.043712 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LJDkkIJMx0 |
|---|---|
| Name | 3-Chloro-3'-(methylthio)carbanilide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.043711920 u |
| Formula | C14H13ClN2OS |
| InChI | InChI=1S/C14H13ClN2OS/c1-19-13-7-3-6-12(9-13)17-14(18)16-11-5-2-4-10(15)8-11/h2-9H,1H3,(H2,16,17,18) |
| InChIKey | PMJRKFZITNWBRI-UHFFFAOYSA-N |
| SMILES | N(C1=CC=CC(=C1)SC)C(NC=1C=CC=C(C1)Cl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.939399 |