| SpectraBase Compound ID | 9FxVc7GXIhQ |
|---|---|
| InChI | InChI=1S/C7H7FS/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2 |
| InChIKey | PMZGGJCLPBGARD-UHFFFAOYSA-N |
| Mol Weight | 142.19 g/mol |
| Molecular Formula | C7H7FS |
| Exact Mass | 142.02525 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CqZYjxeE4OW |
|---|---|
| Name | 3-Fluorobenzyl mercaptan |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.025249562 u |
| Formula | C7H7FS |
| InChI | InChI=1S/C7H7FS/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2 |
| InChIKey | PMZGGJCLPBGARD-UHFFFAOYSA-N |
| Molecular Weight | 142.191 g/mol |
| SMILES | C1(F)=CC(=CC=C1)CS |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938264 |