| SpectraBase Compound ID | L67BagIxT7o |
|---|---|
| InChI | InChI=1S/C7H6ClFS/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2 |
| InChIKey | TXFPTJWQPHMUEF-UHFFFAOYSA-N |
| Mol Weight | 176.64 g/mol |
| Molecular Formula | C7H6ClFS |
| Exact Mass | 175.986277 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | I4FYldfFXnU |
|---|---|
| Name | 2-Chloro-6-fluorobenzyl mercaptan |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.986277230 u |
| Formula | C7H6ClFS |
| InChI | InChI=1S/C7H6ClFS/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2 |
| InChIKey | TXFPTJWQPHMUEF-UHFFFAOYSA-N |
| Molecular Weight | 176.636 g/mol |
| SMILES | C1(=CC=CC(=C1CS)Cl)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93691 |