| SpectraBase Compound ID | DIUaKrNNbAW |
|---|---|
| InChI | InChI=1S/C16H10BrNO3/c17-11-5-7-12(8-6-11)18-15(19)14-9-10-3-1-2-4-13(10)16(20)21-14/h1-9H,(H,18,19) |
| InChIKey | GVCVCVGGMZBRKR-UHFFFAOYSA-N |
| Mol Weight | 344.16 g/mol |
| Molecular Formula | C16H10BrNO3 |
| Exact Mass | 342.984406 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IJASbO9KQ8Z |
|---|---|
| Name | N-(4-Bromophenyl)-1-oxo-1H-2-benzopyran-3-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.984406183 u |
| Formula | C16H10BrNO3 |
| InChI | InChI=1S/C16H10BrNO3/c17-11-5-7-12(8-6-11)18-15(19)14-9-10-3-1-2-4-13(10)16(20)21-14/h1-9H,(H,18,19) |
| InChIKey | GVCVCVGGMZBRKR-UHFFFAOYSA-N |
| Molecular Weight | 344.164 g/mol |
| SMILES | N(C(C=1OC(=O)C=2C(C1)=CC=CC2)=O)C1=CC=C(Br)C=C1 |