![Pyridine, 3-[(phenylthio)methyl]-](/api/spectrum/JaXmB0mK3K6/structure.png?h=300&w=458 "Pyridine, 3-[(phenylthio)methyl]-")
| SpectraBase Compound ID | CRdEN2fOX6T |
|---|---|
| InChI | InChI=1S/C12H11NS/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11/h1-9H,10H2 |
| InChIKey | QAQODOCQHFQGPZ-UHFFFAOYSA-N |
| Mol Weight | 201.29 g/mol |
| Molecular Formula | C12H11NS |
| Exact Mass | 201.061221 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JaXmB0mK3K6 |
|---|---|
| Name | Pyridine, 3-[(phenylthio)methyl]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.061220532 u |
| Formula | C12H11NS |
| InChI | InChI=1S/C12H11NS/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11/h1-9H,10H2 |
| InChIKey | QAQODOCQHFQGPZ-UHFFFAOYSA-N |
| Molecular Weight | 201.287 g/mol |
| SMILES | C1=NC=CC=C1CSC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.809685 |