| SpectraBase Compound ID | GcpntLSyPLQ |
|---|---|
| InChI | InChI=1S/C16H11NO4/c1-10-5-6-15-13(7-10)14(18)9-16(21-15)11-3-2-4-12(8-11)17(19)20/h2-9H,1H3 |
| InChIKey | DQKHNLHXKNIPDK-UHFFFAOYSA-N |
| Mol Weight | 281.27 g/mol |
| Molecular Formula | C16H11NO4 |
| Exact Mass | 281.068808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KF5U7mLZ5R0 |
|---|---|
| Name | 6-Methyl-2-(3-nitrophenyl)-1-benzopyran-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.068807834 u |
| Formula | C16H11NO4 |
| InChI | InChI=1S/C16H11NO4/c1-10-5-6-15-13(7-10)14(18)9-16(21-15)11-3-2-4-12(8-11)17(19)20/h2-9H,1H3 |
| InChIKey | DQKHNLHXKNIPDK-UHFFFAOYSA-N |
| SMILES | C1(=CC(=O)C=2C=C(C=CC2O1)C)C=1C=C(C=CC1)N(=O)=O |