| SpectraBase Compound ID | 4O2PIaYcoXI |
|---|---|
| InChI | InChI=1S/C8H9ClFN/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3-4,11H2 |
| InChIKey | LPKKDFRWZPFMHL-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 | IYfKY2QLTXV |
|---|---|
| Name | 4-Chloro-2-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/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3-4,11H2 |
| InChIKey | LPKKDFRWZPFMHL-UHFFFAOYSA-N |
| Molecular Weight | 173.618 g/mol |
| SMILES | C=1(C(=CC(=CC1)Cl)F)CCN |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933495 |