| SpectraBase Compound ID | FhmSl8lpWGv |
|---|---|
| InChI | InChI=1S/C14H20BrNO/c1-2-3-4-5-14(17)16-11-10-12-6-8-13(15)9-7-12/h6-9H,2-5,10-11H2,1H3,(H,16,17) |
| InChIKey | LVMYDXWXEGXBBW-UHFFFAOYSA-N |
| Mol Weight | 298.22 g/mol |
| Molecular Formula | C14H20BrNO |
| Exact Mass | 297.072827 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4pISvqCOldl |
|---|---|
| Name | 4-Bromophenethylamine hex |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.072827267 u |
| Formula | C14H20BrNO |
| InChI | InChI=1S/C14H20BrNO/c1-2-3-4-5-14(17)16-11-10-12-6-8-13(15)9-7-12/h6-9H,2-5,10-11H2,1H3,(H,16,17) |
| InChIKey | LVMYDXWXEGXBBW-UHFFFAOYSA-N |
| SMILES | C1(CCNC(CCCCC)=O)=CC=C(C=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.845196 |