| SpectraBase Compound ID | FDWSAZHTQCA |
|---|---|
| InChI | InChI=1S/C8H11NS/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2,9H2,1H3 |
| InChIKey | DBQWEIGOXKOQAG-UHFFFAOYSA-N |
| Mol Weight | 153.24 g/mol |
| Molecular Formula | C8H11NS |
| Exact Mass | 153.061221 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HouWrQaf0aI |
|---|---|
| Name | 3-(Ethylsulfanyl)aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 153.061220532 u |
| Formula | C8H11NS |
| InChI | InChI=1S/C8H11NS/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2,9H2,1H3 |
| InChIKey | DBQWEIGOXKOQAG-UHFFFAOYSA-N |
| Molecular Weight | 153.243 g/mol |
| SMILES | C(SC1=CC(=CC=C1)N)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924477 |