| SpectraBase Compound ID | FI1668BZeCi |
|---|---|
| InChI | InChI=1S/C9H11ClN2S/c1-2-11-9(13)12-8-6-4-3-5-7(8)10/h3-6H,2H2,1H3,(H2,11,12,13) |
| InChIKey | GYFGEIDLZZTMHJ-UHFFFAOYSA-N |
| Mol Weight | 214.71 g/mol |
| Molecular Formula | C9H11ClN2S |
| Exact Mass | 214.033147 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7KGRFgDtnsh |
|---|---|
| Name | N-(2-Chlorophenyl)-N'-ethylthiourea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.033147236 u |
| Formula | C9H11ClN2S |
| InChI | InChI=1S/C9H11ClN2S/c1-2-11-9(13)12-8-6-4-3-5-7(8)10/h3-6H,2H2,1H3,(H2,11,12,13) |
| InChIKey | GYFGEIDLZZTMHJ-UHFFFAOYSA-N |
| Molecular Weight | 214.714 g/mol |
| SMILES | C(=S)(NCC)NC1=C(C=CC=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.861836 |