| SpectraBase Compound ID | IsCx6E0Sw5g |
|---|---|
| InChI | InChI=1S/C16H13NO5/c1-22-14-8-4-12(5-9-14)16(19)10-15(18)11-2-6-13(7-3-11)17(20)21/h2-9H,10H2,1H3 |
| InChIKey | SDBZUDCLSHEYEN-UHFFFAOYSA-N |
| Mol Weight | 299.28 g/mol |
| Molecular Formula | C16H13NO5 |
| Exact Mass | 299.079373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lc2dLAQLAdy |
|---|---|
| Name | 1,3-Propanedione, 1-(4-methoxyphenyl)-3-(4-nitrophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.079372518 u |
| Formula | C16H13NO5 |
| InChI | InChI=1S/C16H13NO5/c1-22-14-8-4-12(5-9-14)16(19)10-15(18)11-2-6-13(7-3-11)17(20)21/h2-9H,10H2,1H3 |
| InChIKey | SDBZUDCLSHEYEN-UHFFFAOYSA-N |
| Molecular Weight | 299.282 g/mol |
| SMILES | COC1=CC=C(C(CC(C2=CC=C(N(=O)=O)C=C2)=O)=O)C=C1 |