| SpectraBase Compound ID | 2NHLMokHGN0 |
|---|---|
| InChI | InChI=1S/C12H18FN/c1-2-3-9-14-10-8-11-6-4-5-7-12(11)13/h4-7,14H,2-3,8-10H2,1H3 |
| InChIKey | RATMBUXZWNQNBO-UHFFFAOYSA-N |
| Mol Weight | 195.28 g/mol |
| Molecular Formula | C12H18FN |
| Exact Mass | 195.142328 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1hYDCS6X0IS |
|---|---|
| Name | N-Butyl-2-fluorophenethylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.142327747 u |
| Formula | C12H18FN |
| InChI | InChI=1S/C12H18FN/c1-2-3-9-14-10-8-11-6-4-5-7-12(11)13/h4-7,14H,2-3,8-10H2,1H3 |
| InChIKey | RATMBUXZWNQNBO-UHFFFAOYSA-N |
| Molecular Weight | 195.281 g/mol |
| SMILES | C=1(C(=CC=CC1)F)CCNCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974929 |