| SpectraBase Compound ID | 1mLBgX9Inze |
|---|---|
| InChI | InChI=1S/C18H20BrNO/c1-2-3-13-20(14-15-7-5-4-6-8-15)18(21)16-9-11-17(19)12-10-16/h4-12H,2-3,13-14H2,1H3 |
| InChIKey | AVCPOYSZIUOBCR-UHFFFAOYSA-N |
| Mol Weight | 346.27 g/mol |
| Molecular Formula | C18H20BrNO |
| Exact Mass | 345.072827 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 87u0LyK0tRz |
|---|---|
| Name | Benzamide, 4-bromo-N-benzyl-N-butyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 345.072827267 u |
| Formula | C18H20BrNO |
| InChI | InChI=1S/C18H20BrNO/c1-2-3-13-20(14-15-7-5-4-6-8-15)18(21)16-9-11-17(19)12-10-16/h4-12H,2-3,13-14H2,1H3 |
| InChIKey | AVCPOYSZIUOBCR-UHFFFAOYSA-N |
| Molecular Weight | 346.268 g/mol |
| SMILES | C(N(CCCC)CC1=CC=CC=C1)(=O)C=1C=CC(=CC1)Br |