| SpectraBase Compound ID | H20PMb7bod3 |
|---|---|
| InChI | InChI=1S/C16H11NO5/c1-21-11-6-7-12-14(9-11)22-15(16(12)18)8-10-4-2-3-5-13(10)17(19)20/h2-9H,1H3/b15-8- |
| InChIKey | UJXSRHBNQGPXSW-NVNXTCNLSA-N |
| Mol Weight | 297.27 g/mol |
| Molecular Formula | C16H11NO5 |
| Exact Mass | 297.063722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LK65wZ4OERo |
|---|---|
| Name | (2Z)-6-Methoxy-2-(2-nitrobenzylidene)coumaran-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.063722453 u |
| Formula | C16H11NO5 |
| InChI | InChI=1S/C16H11NO5/c1-21-11-6-7-12-14(9-11)22-15(16(12)18)8-10-4-2-3-5-13(10)17(19)20/h2-9H,1H3/b15-8- |
| InChIKey | UJXSRHBNQGPXSW-NVNXTCNLSA-N |
| SMILES | C1(\C(OC2=CC(=CC=C12)OC)=C\C=1C(N(=O)=O)=CC=CC1)=O |