| SpectraBase Compound ID | 6l7N0uHWyW6 |
|---|---|
| InChI | InChI=1S/C9H10BrNO/c10-9-3-1-8(2-4-9)5-6-11-7-12/h1-4,7H,5-6H2,(H,11,12) |
| InChIKey | MVBSTLOVKYCSCX-UHFFFAOYSA-N |
| Mol Weight | 228.09 g/mol |
| Molecular Formula | C9H10BrNO |
| Exact Mass | 226.994577 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6YSx35VU8E9 |
|---|---|
| Name | 4-Bromophenethylamine form |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.994576945 u |
| Formula | C9H10BrNO |
| InChI | InChI=1S/C9H10BrNO/c10-9-3-1-8(2-4-9)5-6-11-7-12/h1-4,7H,5-6H2,(H,11,12) |
| InChIKey | MVBSTLOVKYCSCX-UHFFFAOYSA-N |
| Molecular Weight | 228.089 g/mol |
| SMILES | C1(=CC=C(C=C1)Br)CCNC=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.85269 |