| SpectraBase Compound ID | 8PtuXex6O09 |
|---|---|
| InChI | InChI=1S/C9H10FNO/c1-6(12)9(11)7-4-2-3-5-8(7)10/h2-5,9H,11H2,1H3 |
| InChIKey | BYBGMLBKCQTBSF-UHFFFAOYSA-N |
| Mol Weight | 167.18 g/mol |
| Molecular Formula | C9H10FNO |
| Exact Mass | 167.074642 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DDw0YTsXDP6 |
|---|---|
| Name | 2-Fluoroisocathinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.074642108 u |
| Formula | C9H10FNO |
| InChI | InChI=1S/C9H10FNO/c1-6(12)9(11)7-4-2-3-5-8(7)10/h2-5,9H,11H2,1H3 |
| InChIKey | BYBGMLBKCQTBSF-UHFFFAOYSA-N |
| Molecular Weight | 167.183 g/mol |
| SMILES | C(C(C)=O)(N)C1=C(F)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.873816 |