| SpectraBase Compound ID | 4jpqoBO6NZD |
|---|---|
| InChI | InChI=1S/C8H11NOS/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4,10H,5-6,9H2 |
| InChIKey | LGHNHPRURDSNNK-UHFFFAOYSA-N |
| Mol Weight | 169.24 g/mol |
| Molecular Formula | C8H11NOS |
| Exact Mass | 169.056135 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 29w0QXTztJH |
|---|---|
| Name | 4-S-Cysteaminylphenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 169.056135151 u |
| Formula | C8H11NOS |
| InChI | InChI=1S/C8H11NOS/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4,10H,5-6,9H2 |
| InChIKey | LGHNHPRURDSNNK-UHFFFAOYSA-N |
| Molecular Weight | 169.242 g/mol |
| SMILES | C1(SCCN)=CC=C(C=C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936995 |