| SpectraBase Compound ID | 5EOrEBKY6B1 |
|---|---|
| InChI | InChI=1S/C9H9FOS/c1-7(11)12-6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3 |
| InChIKey | NJWKZZITGCZYTP-UHFFFAOYSA-N |
| Mol Weight | 184.23 g/mol |
| Molecular Formula | C9H9FOS |
| Exact Mass | 184.035814 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AjDlPhtPzqh |
|---|---|
| Name | 4-Fluorobenzyl mercaptan, S-acetyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.035814246 u |
| Formula | C9H9FOS |
| InChI | InChI=1S/C9H9FOS/c1-7(11)12-6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3 |
| InChIKey | NJWKZZITGCZYTP-UHFFFAOYSA-N |
| Molecular Weight | 184.228 g/mol |
| SMILES | C1(F)=CC=C(C=C1)CSC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.809122 |