| SpectraBase Compound ID | K198BuEnwt2 |
|---|---|
| InChI | InChI=1S/C8H8FNS/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11) |
| InChIKey | YRHITILCFONAAW-UHFFFAOYSA-N |
| Mol Weight | 169.22 g/mol |
| Molecular Formula | C8H8FNS |
| Exact Mass | 169.036149 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2PseNjlfz6X |
|---|---|
| Name | N-(4-Fluorophenyl)ethanethioamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 169.036148599 u |
| Formula | C8H8FNS |
| InChI | InChI=1S/C8H8FNS/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11) |
| InChIKey | YRHITILCFONAAW-UHFFFAOYSA-N |
| Molecular Weight | 169.217 g/mol |
| SMILES | C1(F)=CC=C(C=C1)NC(=S)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933276 |