| SpectraBase Compound ID | GFM2dtLX8I6 |
|---|---|
| InChI | InChI=1S/C8H9ClFN/c1-2-11-8-4-6(9)3-7(10)5-8/h3-5,11H,2H2,1H3 |
| InChIKey | ULNCVZMSSKLRPS-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 | 6J3nds736HW |
|---|---|
| Name | (3-Chloro-5-fluorophenyl)ethylamine |
| 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/c1-2-11-8-4-6(9)3-7(10)5-8/h3-5,11H,2H2,1H3 |
| InChIKey | ULNCVZMSSKLRPS-UHFFFAOYSA-N |
| Molecular Weight | 173.618 g/mol |
| SMILES | C1(=CC(=CC(=C1)Cl)F)NCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.818591 |