![3(2H)-Benzofuranone, 6-methoxy-2-[(3-nitrophenyl)methylene]-, (E)-](/api/spectrum/64ygWRfr845/structure.png?h=300&w=458 "3(2H)-Benzofuranone, 6-methoxy-2-[(3-nitrophenyl)methylene]-, (E)-")
| SpectraBase Compound ID | 8peFDqizmQB |
|---|---|
| InChI | InChI=1S/C16H11NO5/c1-21-12-5-6-13-14(9-12)22-15(16(13)18)8-10-3-2-4-11(7-10)17(19)20/h2-9H,1H3/b15-8+ |
| InChIKey | WBPCAUXVPYFAEE-OVCLIPMQSA-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 | 64ygWRfr845 |
|---|---|
| Name | 3(2H)-Benzofuranone, 6-methoxy-2-[(3-nitrophenyl)methylene]-, (E)- |
| 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/c1-21-12-5-6-13-14(9-12)22-15(16(13)18)8-10-3-2-4-11(7-10)17(19)20/h2-9H,1H3/b15-8+ |
| InChIKey | WBPCAUXVPYFAEE-OVCLIPMQSA-N |
| SMILES | C1(C2=CC=C(C=C2O\C1=C/C1=CC=CC(=C1)N(=O)=O)OC)=O |