| SpectraBase Compound ID | Sk5e2H5Ck6 |
|---|---|
| InChI | InChI=1S/C8H8FNOS/c9-6-1-3-7(4-2-6)10-8(11)5-12/h1-4,12H,5H2,(H,10,11) |
| InChIKey | PDDDWWIWBOYWSB-UHFFFAOYSA-N |
| Mol Weight | 185.22 g/mol |
| Molecular Formula | C8H8FNOS |
| Exact Mass | 185.031063 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8cbgipeBwaj |
|---|---|
| Name | 4'-Fluoro-2-mercaptoacetanilide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.031063218 u |
| Formula | C8H8FNOS |
| InChI | InChI=1S/C8H8FNOS/c9-6-1-3-7(4-2-6)10-8(11)5-12/h1-4,12H,5H2,(H,10,11) |
| InChIKey | PDDDWWIWBOYWSB-UHFFFAOYSA-N |
| Molecular Weight | 185.216 g/mol |
| SMILES | N(C1=CC=C(C=C1)F)C(CS)=O |
| Spectrum/Structure Validation Score (Raman) | 0.919152 |