| SpectraBase Compound ID | 8UAXYDSe1Cb |
|---|---|
| InChI | InChI=1S/C11H14BrN/c1-2-8-13-9-7-10-3-5-11(12)6-4-10/h2-6,13H,1,7-9H2 |
| InChIKey | AGRCUJFUDYQLLD-UHFFFAOYSA-N |
| Mol Weight | 240.14 g/mol |
| Molecular Formula | C11H14BrN |
| Exact Mass | 239.030962 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 82KbGiQzpj9 |
|---|---|
| Name | N-Allyl-4-bromophenethylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.030962455 u |
| Formula | C11H14BrN |
| InChI | InChI=1S/C11H14BrN/c1-2-8-13-9-7-10-3-5-11(12)6-4-10/h2-6,13H,1,7-9H2 |
| InChIKey | AGRCUJFUDYQLLD-UHFFFAOYSA-N |
| Molecular Weight | 240.144 g/mol |
| SMILES | C=1(C=CC(=CC1)Br)CCNCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.920748 |