| SpectraBase Compound ID | JGTZobhURNU |
|---|---|
| InChI | InChI=1S/C10H12BrN/c11-9-4-2-1-3-8(9)10(7-12)5-6-10/h1-4H,5-7,12H2 |
| InChIKey | NHHOPIJRDVTHTL-UHFFFAOYSA-N |
| Mol Weight | 226.12 g/mol |
| Molecular Formula | C10H12BrN |
| Exact Mass | 225.015312 g/mol |
| SpectraBase Spectrum ID | gEA6MxogfE |
|---|---|
| Name | [1-(2-Bromophenyl)cyclopropyl]methanamine |
| 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/c11-9-4-2-1-3-8(9)10(7-12)5-6-10/h1-4H,5-7,12H2 |
| InChIKey | NHHOPIJRDVTHTL-UHFFFAOYSA-N |
| Molecular Weight | 226.117 g/mol |
| SMILES | C1(Br)=C(C=CC=C1)C1(CC1)CN |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914315 |