| SpectraBase Compound ID | H0LhHZxBwBC |
|---|---|
| InChI | InChI=1S/C9H10BrNO/c10-9-4-2-1-3-8(9)5-6-11-7-12/h1-4,7H,5-6H2,(H,11,12) |
| InChIKey | ZKDSNRILISYURC-UHFFFAOYSA-N |
| Mol Weight | 228.09 g/mol |
| Molecular Formula | C9H10BrNO |
| Exact Mass | 226.994577 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LiuX00aUfN1 |
|---|---|
| Name | 2-Bromophenethylamine form |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.994576945 u |
| Formula | C9H10BrNO |
| InChI | InChI=1S/C9H10BrNO/c10-9-4-2-1-3-8(9)5-6-11-7-12/h1-4,7H,5-6H2,(H,11,12) |
| InChIKey | ZKDSNRILISYURC-UHFFFAOYSA-N |
| Molecular Weight | 228.089 g/mol |
| SMILES | C=1(C(=CC=CC1)Br)CCNC=O |