| SpectraBase Compound ID | 5k0oYHSks4h |
|---|---|
| InChI | InChI=1S/C11H13NS/c1-3-6-10-7-4-5-8-11(10)12-9(2)13/h3-8H,1-2H3,(H,12,13)/b6-3- |
| InChIKey | JQPUNXZZISYFMO-UTCJRWHESA-N |
| Mol Weight | 191.29 g/mol |
| Molecular Formula | C11H13NS |
| Exact Mass | 191.076871 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C8kWkYWIZFc |
|---|---|
| Name | o-(1-Trans-propenyl)thioacetanilide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.076870597 u |
| Formula | C11H13NS |
| InChI | InChI=1S/C11H13NS/c1-3-6-10-7-4-5-8-11(10)12-9(2)13/h3-8H,1-2H3,(H,12,13)/b6-3- |
| InChIKey | JQPUNXZZISYFMO-UTCJRWHESA-N |
| Molecular Weight | 191.292 g/mol |
| SMILES | C(NC=1C(\C=C/C)=CC=CC1)(=S)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.899126 |