| SpectraBase Compound ID | 6mauwPPDhKn |
|---|---|
| InChI | InChI=1S/C10H4BrNO2/c11-8-1-2-9-6(4-8)3-7(5-12)10(13)14-9/h1-4H |
| InChIKey | YZLPNNZWVUIODB-UHFFFAOYSA-N |
| Mol Weight | 250.05 g/mol |
| Molecular Formula | C10H4BrNO2 |
| Exact Mass | 248.942541 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JrxUI383nUE |
|---|---|
| Name | 6-Bromo-2-oxo-2H-1-benzopyran-3-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.942541371 u |
| Formula | C10H4BrNO2 |
| InChI | InChI=1S/C10H4BrNO2/c11-8-1-2-9-6(4-8)3-7(5-12)10(13)14-9/h1-4H |
| InChIKey | YZLPNNZWVUIODB-UHFFFAOYSA-N |
| Molecular Weight | 250.051 g/mol |
| SMILES | C=12C=C(C=CC1OC(C(=C2)C#N)=O)Br |