| SpectraBase Compound ID | KkGkOSN75nn |
|---|---|
| InChI | InChI=1S/C13H13NS/c1-10-2-6-12(7-3-10)15-13-8-4-11(14)5-9-13/h2-9H,14H2,1H3 |
| InChIKey | AJSXOVAGVRPACZ-UHFFFAOYSA-N |
| Mol Weight | 215.31 g/mol |
| Molecular Formula | C13H13NS |
| Exact Mass | 215.076871 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | NOM78f0Dhr |
|---|---|
| Name | 4-(p-Tolylthio)aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.076870597 u |
| Formula | C13H13NS |
| InChI | InChI=1S/C13H13NS/c1-10-2-6-12(7-3-10)15-13-8-4-11(14)5-9-13/h2-9H,14H2,1H3 |
| InChIKey | AJSXOVAGVRPACZ-UHFFFAOYSA-N |
| Molecular Weight | 215.314 g/mol |
| SMILES | C1(SC=2C=CC(=CC2)C)=CC=C(N)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921742 |