| SpectraBase Compound ID | 9uYRbSu0I4n |
|---|---|
| InChI | InChI=1S/C12H16BrNO/c1-9(2)12(15)14-8-7-10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,14,15) |
| InChIKey | YTDGAIPQPGLUBF-UHFFFAOYSA-N |
| Mol Weight | 270.17 g/mol |
| Molecular Formula | C12H16BrNO |
| Exact Mass | 269.041527 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | gEFCZnnsGr |
|---|---|
| Name | 4-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)14-8-7-10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,14,15) |
| InChIKey | YTDGAIPQPGLUBF-UHFFFAOYSA-N |
| Molecular Weight | 270.170 g/mol |
| SMILES | C=1(CCNC(C(C)C)=O)C=CC(=CC1)Br |