| SpectraBase Compound ID | BR2JpV5Q6KK |
|---|---|
| InChI | InChI=1S/C20H17BrO/c1-14(13-15-9-11-17(21)12-10-15)20(22)19-8-4-6-16-5-2-3-7-18(16)19/h2-12,14H,13H2,1H3 |
| InChIKey | XZDJSZXCBONGAX-UHFFFAOYSA-N |
| Mol Weight | 353.26 g/mol |
| Molecular Formula | C20H17BrO |
| Exact Mass | 352.046278 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GMBJy7zc3mn |
|---|---|
| Name | 3-(4-Bromobenzyl)-1-(1-naphthyl)propan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.046278166 u |
| Formula | C20H17BrO |
| InChI | InChI=1S/C20H17BrO/c1-14(13-15-9-11-17(21)12-10-15)20(22)19-8-4-6-16-5-2-3-7-18(16)19/h2-12,14H,13H2,1H3 |
| InChIKey | XZDJSZXCBONGAX-UHFFFAOYSA-N |
| Molecular Weight | 353.259 g/mol |
| SMILES | C12=C(C(C(CC=3C=CC(=CC3)Br)C)=O)C=CC=C1C=CC=C2 |