| SpectraBase Compound ID | AKzq9qd9lAt |
|---|---|
| InChI | InChI=1S/C9H11NOS/c1-2-5-10-6-3-4-8(7-11)9(10)12/h3-4,6-7H,2,5H2,1H3 |
| InChIKey | LXEUBHASLFCXRO-UHFFFAOYSA-N |
| Mol Weight | 181.25 g/mol |
| Molecular Formula | C9H11NOS |
| Exact Mass | 181.056135 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L2Ym8fZfXbq |
|---|---|
| Name | 3-Formyl-1-N-propyl-2(1H)-pyridinethione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.056135151 u |
| Formula | C9H11NOS |
| InChI | InChI=1S/C9H11NOS/c1-2-5-10-6-3-4-8(7-11)9(10)12/h3-4,6-7H,2,5H2,1H3 |
| InChIKey | LXEUBHASLFCXRO-UHFFFAOYSA-N |
| Molecular Weight | 181.253 g/mol |
| SMILES | C1=CN(C(C(=C1)C=O)=S)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.84198 |