| SpectraBase Compound ID | 5FSWXriZNmV |
|---|---|
| InChI | InChI=1S/C17H13BrO4/c1-21-12-5-3-4-10-14(12)17(20)15-11(16(10)19)6-9(8-18)7-13(15)22-2/h3-7H,8H2,1-2H3 |
| InChIKey | BSOWZXFPBBGESB-UHFFFAOYSA-N |
| Mol Weight | 361.19 g/mol |
| Molecular Formula | C17H13BrO4 |
| Exact Mass | 359.999722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ESRnbpz6e1E |
|---|---|
| Name | 3-(Bromomethyl)-1,8-dimethoxy-9,10-anthraquinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 359.999721895 u |
| Formula | C17H13BrO4 |
| InChI | InChI=1S/C17H13BrO4/c1-21-12-5-3-4-10-14(12)17(20)15-11(16(10)19)6-9(8-18)7-13(15)22-2/h3-7H,8H2,1-2H3 |
| InChIKey | BSOWZXFPBBGESB-UHFFFAOYSA-N |
| Molecular Weight | 361.191 g/mol |
| SMILES | C=12C(C=3C(OC)=CC=CC3C(C2=CC(=CC1OC)CBr)=O)=O |