| SpectraBase Compound ID | JP18bKmGZ9e |
|---|---|
| InChI | InChI=1S/C17H11N3O4/c1-19-14-7-6-10(20(22)23)8-13(14)18-17(19)12-9-24-15-5-3-2-4-11(15)16(12)21/h2-9H,1H3 |
| InChIKey | DGLKMWOETGTTCQ-UHFFFAOYSA-N |
| Mol Weight | 321.29 g/mol |
| Molecular Formula | C17H11N3O4 |
| Exact Mass | 321.074956 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5iHt6ky6gwt |
|---|---|
| Name | 3-(1-Methyl-5-nitro-1,3-benzodiazol-2-yl)chromen-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.074955842 u |
| Formula | C17H11N3O4 |
| InChI | InChI=1S/C17H11N3O4/c1-19-14-7-6-10(20(22)23)8-13(14)18-17(19)12-9-24-15-5-3-2-4-11(15)16(12)21/h2-9H,1H3 |
| InChIKey | DGLKMWOETGTTCQ-UHFFFAOYSA-N |
| Molecular Weight | 321.292 g/mol |
| SMILES | C12=C(C=CC=C2)C(C(=CO1)C=1N(C2=CC=C(C=C2N1)N(=O)=O)C)=O |