| SpectraBase Compound ID | 1At0DOw3ory |
|---|---|
| InChI | InChI=1S/C14H12ClNS/c15-12-6-7-14(13(16)10-12)17-9-8-11-4-2-1-3-5-11/h1-10H,16H2/b9-8- |
| InChIKey | KBCOMZZSYGAZJX-HJWRWDBZSA-N |
| Mol Weight | 261.77 g/mol |
| Molecular Formula | C14H12ClNS |
| Exact Mass | 261.037898 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Cq5PW5U62af |
|---|---|
| Name | (Z)-5-Chloro-2-(styrylthio)aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.037898264 u |
| Formula | C14H12ClNS |
| InChI | InChI=1S/C14H12ClNS/c15-12-6-7-14(13(16)10-12)17-9-8-11-4-2-1-3-5-11/h1-10H,16H2/b9-8- |
| InChIKey | KBCOMZZSYGAZJX-HJWRWDBZSA-N |
| SMILES | C=1(C=C(Cl)C=CC1S\C=C/C1=CC=CC=C1)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921548 |