| SpectraBase Compound ID | LjU6a97xORN |
|---|---|
| InChI | InChI=1S/C9H11ClN2S/c1-11-9(13)12-6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3,(H2,11,12,13) |
| InChIKey | NXQQJBKSBQZOSR-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 | AmE4HYlotlu |
|---|---|
| Name | N-(4-Chlorobenzyl)-N'-methylthiourea |
| 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/c1-11-9(13)12-6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3,(H2,11,12,13) |
| InChIKey | NXQQJBKSBQZOSR-UHFFFAOYSA-N |
| Molecular Weight | 214.714 g/mol |
| SMILES | C(=S)(NCC1=CC=C(C=C1)Cl)NC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.869021 |