| SpectraBase Compound ID | 14Yf3uqEV7I |
|---|---|
| InChI | InChI=1S/C16H18BrNO/c1-19-16-5-3-2-4-14(16)10-11-18-12-13-6-8-15(17)9-7-13/h2-9,18H,10-12H2,1H3 |
| InChIKey | QWIGSZMHHPPRII-UHFFFAOYSA-N |
| Mol Weight | 320.23 g/mol |
| Molecular Formula | C16H18BrNO |
| Exact Mass | 319.057177 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BwxFwtoP9ap |
|---|---|
| Name | 2-Methoxyphenethylamine N-(4-bromobenzyl) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.057177203 u |
| Formula | C16H18BrNO |
| InChI | InChI=1S/C16H18BrNO/c1-19-16-5-3-2-4-14(16)10-11-18-12-13-6-8-15(17)9-7-13/h2-9,18H,10-12H2,1H3 |
| InChIKey | QWIGSZMHHPPRII-UHFFFAOYSA-N |
| Molecular Weight | 320.230 g/mol |
| SMILES | C=1(C(=CC=CC1)OC)CCNCC=1C=CC(=CC1)Br |