| SpectraBase Compound ID | DuJE4YgqNNe |
|---|---|
| InChI | InChI=1S/C12H11NS/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H,13H2 |
| InChIKey | TZQVSGOOKNNDFU-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 | 6J1lqzeI62B |
|---|---|
| Name | 4-(Phenylthio)aniline |
| 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/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H,13H2 |
| InChIKey | TZQVSGOOKNNDFU-UHFFFAOYSA-N |
| Molecular Weight | 201.287 g/mol |
| SMILES | C=1(SC=2C=CC=CC2)C=CC(=CC1)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.907476 |