| SpectraBase Compound ID | Li3Gp5utOoY |
|---|---|
| InChI | InChI=1S/C8H5FN2S/c9-7-1-3-8(4-2-7)11(5-10)6-12/h1-4,6H |
| InChIKey | MXAUHPHMSHEQBW-UHFFFAOYSA-N |
| Mol Weight | 180.2 g/mol |
| Molecular Formula | C8H5FN2S |
| Exact Mass | 180.015748 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2l2aMHurSTd |
|---|---|
| Name | N-(4-Fluorophenyl)cyanothioformamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.015747506 u |
| Formula | C8H5FN2S |
| InChI | InChI=1S/C8H5FN2S/c9-7-1-3-8(4-2-7)11(5-10)6-12/h1-4,6H |
| InChIKey | MXAUHPHMSHEQBW-UHFFFAOYSA-N |
| Molecular Weight | 180.200 g/mol |
| SMILES | C(N(C=S)C=1C=CC(=CC1)F)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.826761 |