| SpectraBase Compound ID | GemQC9QzKY4 |
|---|---|
| InChI | InChI=1S/C12H16BrNO/c1-3-4-12(15)14-9(2)10-5-7-11(13)8-6-10/h5-9H,3-4H2,1-2H3,(H,14,15) |
| InChIKey | LSCLBOJFULJYKQ-UHFFFAOYSA-N |
| Mol Weight | 270.17 g/mol |
| Molecular Formula | C12H16BrNO |
| Exact Mass | 269.041527 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 68gMmuSnGQP |
|---|---|
| Name | 4-Bromo-alpha-phenethylamine but |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.041527138 u |
| Formula | C12H16BrNO |
| InChI | InChI=1S/C12H16BrNO/c1-3-4-12(15)14-9(2)10-5-7-11(13)8-6-10/h5-9H,3-4H2,1-2H3,(H,14,15) |
| InChIKey | LSCLBOJFULJYKQ-UHFFFAOYSA-N |
| Molecular Weight | 270.170 g/mol |
| SMILES | C(C=1C=CC(=CC1)Br)(NC(CCC)=O)C |