| SpectraBase Compound ID | ct6mPJ3m7 |
|---|---|
| InChI | InChI=1S/C9H8FNO2S/c10-8-4-1-2-5-9(8)14(12,13)7-3-6-11/h1-2,4-5H,3,7H2 |
| InChIKey | SNIYBIZRVFEKFX-UHFFFAOYSA-N |
| Mol Weight | 213.23 g/mol |
| Molecular Formula | C9H8FNO2S |
| Exact Mass | 213.025978 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6XKI2vLsvVe |
|---|---|
| Name | 3-((2-Fluorophenyl)sulfonyl)propanenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.025977837 u |
| Formula | C9H8FNO2S |
| InChI | InChI=1S/C9H8FNO2S/c10-8-4-1-2-5-9(8)14(12,13)7-3-6-11/h1-2,4-5H,3,7H2 |
| InChIKey | SNIYBIZRVFEKFX-UHFFFAOYSA-N |
| Molecular Weight | 213.226 g/mol |
| SMILES | C1(S(=O)(=O)CCC#N)=C(F)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.817182 |