| SpectraBase Compound ID | 2Rh4PgHkU2L |
|---|---|
| InChI | InChI=1S/C10H12BrN/c11-9-3-1-7(2-4-9)8-5-10(12)6-8/h1-4,8,10H,5-6,12H2 |
| InChIKey | VNQNQKQBKMLKQN-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 | 9Bi8JUqk22H |
|---|---|
| Name | 3-(4-Bromophenyl)cyclobutan-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/c11-9-3-1-7(2-4-9)8-5-10(12)6-8/h1-4,8,10H,5-6,12H2 |
| InChIKey | VNQNQKQBKMLKQN-UHFFFAOYSA-N |
| Molecular Weight | 226.117 g/mol |
| SMILES | C1(Br)=CC=C(C=C1)C1CC(C1)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.894299 |