| SpectraBase Compound ID | 9W226rIIySq |
|---|---|
| InChI | InChI=1S/C8H10FNO2/c1-12-8-2-5(4-10)6(9)3-7(8)11/h2-3,11H,4,10H2,1H3 |
| InChIKey | JIFJCSMDXMCCQK-UHFFFAOYSA-N |
| Mol Weight | 171.17 g/mol |
| Molecular Formula | C8H10FNO2 |
| Exact Mass | 171.069557 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BJQfvIiOnYy |
|---|---|
| Name | Benzeneethanamine, 2-fluoro-4-hydroxy-5-methoxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.069556727 u |
| Formula | C8H10FNO2 |
| InChI | InChI=1S/C8H10FNO2/c1-12-8-2-5(4-10)6(9)3-7(8)11/h2-3,11H,4,10H2,1H3 |
| InChIKey | JIFJCSMDXMCCQK-UHFFFAOYSA-N |
| Molecular Weight | 171.171 g/mol |
| SMILES | C1(=C(C=C(C(=C1)O)OC)CN)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.826449 |