| SpectraBase Compound ID | 9OlhAVqlYol |
|---|---|
| InChI | InChI=1S/C13H13NS/c1-10-7-8-12(14)13(9-10)15-11-5-3-2-4-6-11/h2-9H,14H2,1H3 |
| InChIKey | QQIWMXNJTRXLPV-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 | JxjC8xrvkLF |
|---|---|
| Name | 4-Methyl-2-(phenylthio)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/c1-10-7-8-12(14)13(9-10)15-11-5-3-2-4-6-11/h2-9H,14H2,1H3 |
| InChIKey | QQIWMXNJTRXLPV-UHFFFAOYSA-N |
| Molecular Weight | 215.314 g/mol |
| SMILES | C=1(SC2=CC=CC=C2)C(=CC=C(C1)C)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.863426 |