| SpectraBase Compound ID | HLQCVkyaiT3 |
|---|---|
| InChI | InChI=1S/C7H9NS/c1-6-3-4-7(9)8(2)5-6/h3-5H,1-2H3 |
| InChIKey | HFNYUEBJAXBSOA-UHFFFAOYSA-N |
| Mol Weight | 139.22 g/mol |
| Molecular Formula | C7H9NS |
| Exact Mass | 139.04557 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GcFV32Z5C3B |
|---|---|
| Name | 2(1H)-Pyridinethione, 1,5-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 139.045570468 u |
| Formula | C7H9NS |
| InChI | InChI=1S/C7H9NS/c1-6-3-4-7(9)8(2)5-6/h3-5H,1-2H3 |
| InChIKey | HFNYUEBJAXBSOA-UHFFFAOYSA-N |
| Molecular Weight | 139.216 g/mol |
| SMILES | CN1C(=S)C=CC(=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.841382 |