| SpectraBase Compound ID | 5QM4612LIN1 |
|---|---|
| InChI | InChI=1S/C16H18BrN/c17-16-10-4-8-15(12-16)13-18-11-5-9-14-6-2-1-3-7-14/h1-4,6-8,10,12,18H,5,9,11,13H2 |
| InChIKey | SPNYDNFUMUNCOQ-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 | 1NnC9oZf6VS |
|---|---|
| Name | 3-Phenylpropylamine N-(3-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/c17-16-10-4-8-15(12-16)13-18-11-5-9-14-6-2-1-3-7-14/h1-4,6-8,10,12,18H,5,9,11,13H2 |
| InChIKey | SPNYDNFUMUNCOQ-UHFFFAOYSA-N |
| Molecular Weight | 304.231 g/mol |
| SMILES | C=1(CNCCCC=2C=CC=CC2)C=C(C=CC1)Br |