| SpectraBase Compound ID | 7siUBqRJ9AH |
|---|---|
| InChI | InChI=1S/C13H18BrNO/c1-2-3-8-13(16)15-10-9-11-6-4-5-7-12(11)14/h4-7H,2-3,8-10H2,1H3,(H,15,16) |
| InChIKey | IPMXLGGIEHDPSM-UHFFFAOYSA-N |
| Mol Weight | 284.2 g/mol |
| Molecular Formula | C13H18BrNO |
| Exact Mass | 283.057177 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 80nkCJaOvAj |
|---|---|
| Name | 2-Bromophenethylamine pent |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.057177203 u |
| Formula | C13H18BrNO |
| InChI | InChI=1S/C13H18BrNO/c1-2-3-8-13(16)15-10-9-11-6-4-5-7-12(11)14/h4-7H,2-3,8-10H2,1H3,(H,15,16) |
| InChIKey | IPMXLGGIEHDPSM-UHFFFAOYSA-N |
| SMILES | C=1(C(=CC=CC1)Br)CCNC(CCCC)=O |