| SpectraBase Compound ID | G6Zt7OMkPEx |
|---|---|
| InChI | InChI=1S/C13H18FN/c14-13-8-4-3-7-12(13)11-15-9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-11H2 |
| InChIKey | BWEXQNMZSQNIDU-UHFFFAOYSA-N |
| Mol Weight | 207.29 g/mol |
| Molecular Formula | C13H18FN |
| Exact Mass | 207.142328 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9jGofwspG20 |
|---|---|
| Name | N-(2-Fluorobenzyl)azepane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.142327747 u |
| Formula | C13H18FN |
| InChI | InChI=1S/C13H18FN/c14-13-8-4-3-7-12(13)11-15-9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-11H2 |
| InChIKey | BWEXQNMZSQNIDU-UHFFFAOYSA-N |
| Molecular Weight | 207.292 g/mol |
| SMILES | C=1(C(=CC=CC1)F)CN1CCCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.849308 |