![9-Bromo-2H-pyrano[3,2-c]chromen-5-one](/api/spectrum/KF3q1rKCcg0/structure.png?h=300&w=458 "9-Bromo-2H-pyrano[3,2-c]chromen-5-one")
| SpectraBase Compound ID | Ibd43B5pv1l |
|---|---|
| InChI | InChI=1S/C12H7BrO3/c13-7-3-4-10-9(6-7)11-8(12(14)16-10)2-1-5-15-11/h1-4,6H,5H2 |
| InChIKey | KHNLIHAYGIWVIH-UHFFFAOYSA-N |
| Mol Weight | 279.09 g/mol |
| Molecular Formula | C12H7BrO3 |
| Exact Mass | 277.957857 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KF3q1rKCcg0 |
|---|---|
| Name | 9-Bromo-2H-pyrano[3,2-C]chromen-5-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.957857082 u |
| Formula | C12H7BrO3 |
| InChI | InChI=1S/C12H7BrO3/c13-7-3-4-10-9(6-7)11-8(12(14)16-10)2-1-5-15-11/h1-4,6H,5H2 |
| InChIKey | KHNLIHAYGIWVIH-UHFFFAOYSA-N |
| SMILES | C12=C(C3=CC(Br)=CC=C3OC2=O)OCC=C1 |