| SpectraBase Compound ID | LZOliKMJpxD |
|---|---|
| InChI | InChI=1S/C10H12BrN/c1-9(11)7-12-8-10-5-3-2-4-6-10/h2-6,12H,1,7-8H2 |
| InChIKey | VTZNTXQISCQQLW-UHFFFAOYSA-N |
| Mol Weight | 226.12 g/mol |
| Molecular Formula | C10H12BrN |
| Exact Mass | 225.015312 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7iuszftTHxD |
|---|---|
| Name | 2-Bromanyl-N-(phenylmethyl)prop-2-en-1-amine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.015312390 u |
| Formula | C10H12BrN |
| InChI | InChI=1S/C10H12BrN/c1-9(11)7-12-8-10-5-3-2-4-6-10/h2-6,12H,1,7-8H2 |
| InChIKey | VTZNTXQISCQQLW-UHFFFAOYSA-N |
| Molecular Weight | 226.117 g/mol |
| SMILES | C(=C)(Br)CNCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.978162 |