| SpectraBase Compound ID | K6UwBMfOcdw |
|---|---|
| InChI | InChI=1S/C17H18BrNO3/c1-21-15-8-3-12(11-16(15)22-2)9-10-19-17(20)13-4-6-14(18)7-5-13/h3-8,11H,9-10H2,1-2H3,(H,19,20) |
| InChIKey | WLBOQIPGRGGLJQ-UHFFFAOYSA-N |
| Mol Weight | 364.24 g/mol |
| Molecular Formula | C17H18BrNO3 |
| Exact Mass | 363.047006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A3qkegrNeos |
|---|---|
| Name | Benzamide, 4-bromo-N-(3,4-dimethoxyphenethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 363.047006441 u |
| Formula | C17H18BrNO3 |
| InChI | InChI=1S/C17H18BrNO3/c1-21-15-8-3-12(11-16(15)22-2)9-10-19-17(20)13-4-6-14(18)7-5-13/h3-8,11H,9-10H2,1-2H3,(H,19,20) |
| InChIKey | WLBOQIPGRGGLJQ-UHFFFAOYSA-N |
| Molecular Weight | 364.239 g/mol |
| SMILES | C(C1=CC=C(C=C1)Br)(=O)NCCC=1C=C(OC)C(OC)=CC1 |