| SpectraBase Compound ID | LMqUWfyO2El |
|---|---|
| InChI | InChI=1S/C16H18BrN/c1-13(15-5-3-2-4-6-15)11-18-12-14-7-9-16(17)10-8-14/h2-10,13,18H,11-12H2,1H3 |
| InChIKey | VHTPVJMWPZXPDK-UHFFFAOYSA-N |
| Mol Weight | 304.23 g/mol |
| Molecular Formula | C16H18BrN |
| Exact Mass | 303.062263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BoBXSHKFxza |
|---|---|
| Name | beta-Methylphenethylamine N-(4-bromobenzyl) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.062262584 u |
| Formula | C16H18BrN |
| InChI | InChI=1S/C16H18BrN/c1-13(15-5-3-2-4-6-15)11-18-12-14-7-9-16(17)10-8-14/h2-10,13,18H,11-12H2,1H3 |
| InChIKey | VHTPVJMWPZXPDK-UHFFFAOYSA-N |
| Molecular Weight | 304.231 g/mol |
| SMILES | C(C1=CC=CC=C1)(CNCC=1C=CC(=CC1)Br)C |