| SpectraBase Compound ID | GJ6nJofgUsW |
|---|---|
| InChI | InChI=1S/C14H12BrNO4/c15-10-1-2-12-9(7-10)8-11(14(18)20-12)13(17)16-3-5-19-6-4-16/h1-2,7-8H,3-6H2 |
| InChIKey | CVLFPEPZXXJMQW-UHFFFAOYSA-N |
| Mol Weight | 338.16 g/mol |
| Molecular Formula | C14H12BrNO4 |
| Exact Mass | 336.994971 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I7U4yMhXatC |
|---|---|
| Name | 6-Bromo-3-(4-morpholinylcarbonyl)-2H-chromen-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.994970866 u |
| Formula | C14H12BrNO4 |
| InChI | InChI=1S/C14H12BrNO4/c15-10-1-2-12-9(7-10)8-11(14(18)20-12)13(17)16-3-5-19-6-4-16/h1-2,7-8H,3-6H2 |
| InChIKey | CVLFPEPZXXJMQW-UHFFFAOYSA-N |
| Molecular Weight | 338.157 g/mol |
| SMILES | C=1(C(OC2=C(C1)C=C(C=C2)Br)=O)C(N1CCOCC1)=O |