| SpectraBase Compound ID | 855IN6yu1VN |
|---|---|
| InChI | InChI=1S/C8H3F2NO/c9-7-1-5(4-12)2-8(10)6(7)3-11/h1-2,4H |
| InChIKey | TUOLCSUKMUVDOE-UHFFFAOYSA-N |
| Mol Weight | 167.11 g/mol |
| Molecular Formula | C8H3F2NO |
| Exact Mass | 167.01827 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6rtVUwPKgz7 |
|---|---|
| Name | 2,6-Difluoro-4-formylbenzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.018270046 u |
| Formula | C8H3F2NO |
| InChI | InChI=1S/C8H3F2NO/c9-7-1-5(4-12)2-8(10)6(7)3-11/h1-2,4H |
| InChIKey | TUOLCSUKMUVDOE-UHFFFAOYSA-N |
| Molecular Weight | 167.115 g/mol |
| SMILES | C1(F)=C(C(=CC(=C1)C=O)F)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.918946 |