| SpectraBase Compound ID | 7HgqjwNb6yb |
|---|---|
| InChI | InChI=1S/C9H8FNO2/c1-6(12)11-9(13)7-3-2-4-8(10)5-7/h2-5H,1H3,(H,11,12,13) |
| InChIKey | STDRKWVUIGCWKR-UHFFFAOYSA-N |
| Mol Weight | 181.17 g/mol |
| Molecular Formula | C9H8FNO2 |
| Exact Mass | 181.053907 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3J7b5DphIFP |
|---|---|
| Name | N-Acetyl-3-fluorobenzamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.053906663 u |
| Formula | C9H8FNO2 |
| InChI | InChI=1S/C9H8FNO2/c1-6(12)11-9(13)7-3-2-4-8(10)5-7/h2-5H,1H3,(H,11,12,13) |
| InChIKey | STDRKWVUIGCWKR-UHFFFAOYSA-N |
| Molecular Weight | 181.166 g/mol |
| SMILES | C1(F)=CC(=CC=C1)C(=O)NC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951549 |