| SpectraBase Compound ID | 1V9a2vHhZXZ |
|---|---|
| InChI | InChI=1S/C9H11FN2S/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13) |
| InChIKey | KLZBBZDRSCOSOH-UHFFFAOYSA-N |
| Mol Weight | 198.26 g/mol |
| Molecular Formula | C9H11FN2S |
| Exact Mass | 198.062698 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KUpBiiS4aGs |
|---|---|
| Name | 3-(p-Fluorophenyl)-1,1-dimethylthiourea |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.062697699 u |
| Formula | C9H11FN2S |
| InChI | InChI=1S/C9H11FN2S/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13) |
| InChIKey | KLZBBZDRSCOSOH-UHFFFAOYSA-N |
| Molecular Weight | 198.259 g/mol |
| SMILES | C1=C(C=CC(=C1)NC(N(C)C)=S)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.915578 |