| SpectraBase Compound ID | 4zlEWAAspvI |
|---|---|
| InChI | InChI=1S/C12H16BrNO/c1-9(2)12(15)14-8-7-10-5-3-4-6-11(10)13/h3-6,9H,7-8H2,1-2H3,(H,14,15) |
| InChIKey | TYESAXRPDZNQKX-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 | IX3RH947cCw |
|---|---|
| Name | 2-Bromophenethylamine I-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/c1-9(2)12(15)14-8-7-10-5-3-4-6-11(10)13/h3-6,9H,7-8H2,1-2H3,(H,14,15) |
| InChIKey | TYESAXRPDZNQKX-UHFFFAOYSA-N |
| Molecular Weight | 270.170 g/mol |
| SMILES | C=1(C(=CC=CC1)Br)CCNC(C(C)C)=O |