| SpectraBase Compound ID | LWNEqZ84LjZ |
|---|---|
| InChI | InChI=1S/C8H9ClFN/c9-7-5-6(3-4-11)1-2-8(7)10/h1-2,5H,3-4,11H2 |
| InChIKey | FJYXMCYYPFAUPO-UHFFFAOYSA-N |
| Mol Weight | 173.62 g/mol |
| Molecular Formula | C8H9ClFN |
| Exact Mass | 173.040755 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2j8xyiItPoU |
|---|---|
| Name | 3-Chloro-4-fluorophenethylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.040755157 u |
| Formula | C8H9ClFN |
| InChI | InChI=1S/C8H9ClFN/c9-7-5-6(3-4-11)1-2-8(7)10/h1-2,5H,3-4,11H2 |
| InChIKey | FJYXMCYYPFAUPO-UHFFFAOYSA-N |
| Molecular Weight | 173.618 g/mol |
| SMILES | C=1(C=C(C(=CC1)F)Cl)CCN |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938287 |