| SpectraBase Compound ID | 56EpwBXJ9UT |
|---|---|
| InChI | InChI=1S/C9H11N3S/c1-7(11-12-9(10)13)8-5-3-2-4-6-8/h2-6H,1H3,(H3,10,12,13)/b11-7+ |
| InChIKey | JMULZUQMMLAALR-YRNVUSSQSA-N |
| Mol Weight | 193.27 g/mol |
| Molecular Formula | C9H11N3S |
| Exact Mass | 193.067369 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6KRCHLH892G |
|---|---|
| Name | Acetophenone-thiosemicarbazone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.067368540 u |
| Formula | C9H11N3S |
| InChI | InChI=1S/C9H11N3S/c1-7(11-12-9(10)13)8-5-3-2-4-6-8/h2-6H,1H3,(H3,10,12,13)/b11-7+ |
| InChIKey | JMULZUQMMLAALR-YRNVUSSQSA-N |
| Molecular Weight | 193.268 g/mol |
| SMILES | C1(\C(=N\NC(=S)N)C)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900311 |