| SpectraBase Compound ID | 4JQkSlMzNBC |
|---|---|
| InChI | InChI=1S/C8H7FOS/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3 |
| InChIKey | OPXSWMGKDHWHSD-UHFFFAOYSA-N |
| Mol Weight | 170.2 g/mol |
| Molecular Formula | C8H7FOS |
| Exact Mass | 170.020164 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JiMZbMV6AGw |
|---|---|
| Name | 4-Fluorobenzenecarbothioic acid S-methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.020164181 u |
| Formula | C8H7FOS |
| InChI | InChI=1S/C8H7FOS/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3 |
| InChIKey | OPXSWMGKDHWHSD-UHFFFAOYSA-N |
| Molecular Weight | 170.201 g/mol |
| SMILES | C(C=1C=CC(=CC1)F)(=O)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.815602 |