| SpectraBase Compound ID | n1nJW8aqZj |
|---|---|
| InChI | InChI=1S/C9H12FN/c1-2-11-7-8-4-3-5-9(10)6-8/h3-6,11H,2,7H2,1H3 |
| InChIKey | QAPAPLIQQTVEJZ-UHFFFAOYSA-N |
| Mol Weight | 153.2 g/mol |
| Molecular Formula | C9H12FN |
| Exact Mass | 153.095378 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | PWgs1fBybo |
|---|---|
| Name | N-(3-Fluorobenzyl)ethylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 153.095377553 u |
| Formula | C9H12FN |
| InChI | InChI=1S/C9H12FN/c1-2-11-7-8-4-3-5-9(10)6-8/h3-6,11H,2,7H2,1H3 |
| InChIKey | QAPAPLIQQTVEJZ-UHFFFAOYSA-N |
| Molecular Weight | 153.200 g/mol |
| SMILES | C=1(C=C(C=CC1)F)CNCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.891671 |