| SpectraBase Compound ID | BGHcCakTuPg |
|---|---|
| InChI | InChI=1S/C17H18BrNO3/c1-21-15-7-6-12(10-16(15)22-2)8-9-19-17(20)13-4-3-5-14(18)11-13/h3-7,10-11H,8-9H2,1-2H3,(H,19,20) |
| InChIKey | NXXAWCHKDATNHB-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 | BL1rn9W6rXq |
|---|---|
| Name | Benzamide, 3-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/c1-21-15-7-6-12(10-16(15)22-2)8-9-19-17(20)13-4-3-5-14(18)11-13/h3-7,10-11H,8-9H2,1-2H3,(H,19,20) |
| InChIKey | NXXAWCHKDATNHB-UHFFFAOYSA-N |
| Molecular Weight | 364.239 g/mol |
| SMILES | C1(=CC(=CC=C1)Br)C(=O)NCCC=1C=C(OC)C(OC)=CC1 |