| SpectraBase Compound ID | CYA3D1YB1CM |
|---|---|
| InChI | InChI=1S/C16H12BrFO4/c1-10(17)15(19)21-13-3-2-4-14(9-13)22-16(20)11-5-7-12(18)8-6-11/h2-10H,1H3 |
| InChIKey | BSOJUXHVKNWVOE-UHFFFAOYSA-N |
| Mol Weight | 367.17 g/mol |
| Molecular Formula | C16H12BrFO4 |
| Exact Mass | 365.9903 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5XYTYIhTRqH |
|---|---|
| Name | 1,3-Benzenediol, o-(2-bromopropionyl)-o'-(4-fluorobenzoyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 365.990300025 u |
| Formula | C16H12BrFO4 |
| InChI | InChI=1S/C16H12BrFO4/c1-10(17)15(19)21-13-3-2-4-14(9-13)22-16(20)11-5-7-12(18)8-6-11/h2-10H,1H3 |
| InChIKey | BSOJUXHVKNWVOE-UHFFFAOYSA-N |
| Molecular Weight | 367.170 g/mol |
| SMILES | C1(=CC(=CC=C1)OC(C1=CC=C(C=C1)F)=O)OC(C(C)Br)=O |