| SpectraBase Compound ID | LflFqFaU4VQ |
|---|---|
| InChI | InChI=1S/C8H9ClN2S/c1-10-8(12)11-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11,12) |
| InChIKey | UKOJOHPYEVWPNN-UHFFFAOYSA-N |
| Mol Weight | 200.69 g/mol |
| Molecular Formula | C8H9ClN2S |
| Exact Mass | 200.017497 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IXAd9p6mmrM |
|---|---|
| Name | N-(4-Chlorophenyl)-N'-methylthiourea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.017497172 u |
| Formula | C8H9ClN2S |
| InChI | InChI=1S/C8H9ClN2S/c1-10-8(12)11-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11,12) |
| InChIKey | UKOJOHPYEVWPNN-UHFFFAOYSA-N |
| Molecular Weight | 200.687 g/mol |
| SMILES | C(NC1=CC=C(Cl)C=C1)(=S)NC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936646 |