![N-[2-(Methylthio)ethyl]aniline](/api/spectrum/IgmZZl2F1TC/structure.png?h=300&w=458 "N-[2-(Methylthio)ethyl]aniline")
| SpectraBase Compound ID | FbK7laXT1bl |
|---|---|
| InChI | InChI=1S/C9H13NS/c1-11-8-7-10-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3 |
| InChIKey | RJJIVFLXJQOMCG-UHFFFAOYSA-N |
| Mol Weight | 167.27 g/mol |
| Molecular Formula | C9H13NS |
| Exact Mass | 167.076871 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IgmZZl2F1TC |
|---|---|
| Name | N-[2-(Methylthio)ethyl]aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.076870597 u |
| Formula | C9H13NS |
| InChI | InChI=1S/C9H13NS/c1-11-8-7-10-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3 |
| InChIKey | RJJIVFLXJQOMCG-UHFFFAOYSA-N |
| Molecular Weight | 167.270 g/mol |
| SMILES | C=1(NCCSC)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971141 |