| SpectraBase Compound ID | FwiT6K38ZLW |
|---|---|
| InChI | InChI=1S/C16H11BrO4/c1-2-15(18)20-11-6-5-7-12(10-11)21-16(19)13-8-3-4-9-14(13)17/h2-10H,1H2 |
| InChIKey | UJMRTHUKQRLJTO-UHFFFAOYSA-N |
| Mol Weight | 347.16 g/mol |
| Molecular Formula | C16H11BrO4 |
| Exact Mass | 345.984072 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5a5RhV9VdpB |
|---|---|
| Name | 1,3-Benzenediol, o-acryloyl-o'-(2-bromobenzoyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 345.984071830 u |
| Formula | C16H11BrO4 |
| InChI | InChI=1S/C16H11BrO4/c1-2-15(18)20-11-6-5-7-12(10-11)21-16(19)13-8-3-4-9-14(13)17/h2-10H,1H2 |
| InChIKey | UJMRTHUKQRLJTO-UHFFFAOYSA-N |
| Molecular Weight | 347.164 g/mol |
| SMILES | C1(=CC(=CC=C1)OC(C1=CC=CC=C1Br)=O)OC(C=C)=O |