| SpectraBase Compound ID | 5kgZSPJF1E |
|---|---|
| InChI | InChI=1S/C7H6OS/c8-5-6-1-3-7(9)4-2-6/h1-5,9H |
| InChIKey | NRLPPGBADQVXSJ-UHFFFAOYSA-N |
| Mol Weight | 138.18 g/mol |
| Molecular Formula | C7H6OS |
| Exact Mass | 138.013936 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HFf8T3k6M1F |
|---|---|
| Name | 4-Mercaptobenzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.013935986 u |
| Formula | C7H6OS |
| InChI | InChI=1S/C7H6OS/c8-5-6-1-3-7(9)4-2-6/h1-5,9H |
| InChIKey | NRLPPGBADQVXSJ-UHFFFAOYSA-N |
| SMILES | C=1(C=O)C=CC(=CC1)S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.834338 |