| SpectraBase Compound ID | HtYcWGzn7VC |
|---|---|
| InChI | InChI=1S/C9H11NS/c1-2-7-11-9-6-4-3-5-8(9)10/h2-7H,10H2,1H3/b7-2+ |
| InChIKey | WHSYLHNXIPCXCH-FARCUNLSSA-N |
| Mol Weight | 165.25 g/mol |
| Molecular Formula | C9H11NS |
| Exact Mass | 165.061221 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8VNMkxVEXIt |
|---|---|
| Name | 2-(Prop-1-en-1-ylthio)aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 165.061220532 u |
| Formula | C9H11NS |
| InChI | InChI=1S/C9H11NS/c1-2-7-11-9-6-4-3-5-8(9)10/h2-7H,10H2,1H3/b7-2+ |
| InChIKey | WHSYLHNXIPCXCH-FARCUNLSSA-N |
| Molecular Weight | 165.254 g/mol |
| SMILES | C=1(C(N)=CC=CC1)S\C=C\C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95162 |