| SpectraBase Compound ID | lBBCUJKfPV |
|---|---|
| InChI | InChI=1S/C15H11N3O3/c1-10-14(15(19)11-5-4-8-16-9-11)18(21)13-7-3-2-6-12(13)17(10)20/h2-9H,1H3 |
| InChIKey | LNQDHCGNQBLSKO-UHFFFAOYSA-N |
| Mol Weight | 281.27 g/mol |
| Molecular Formula | C15H11N3O3 |
| Exact Mass | 281.080041 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9LYd6WUgNQg |
|---|---|
| Name | (1-Keto-3-methyl-4-oxido-quinoxalin-1-ium-2-yl)-(3-pyridyl)methanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.080041223 u |
| Formula | C15H11N3O3 |
| InChI | InChI=1S/C15H11N3O3/c1-10-14(15(19)11-5-4-8-16-9-11)18(21)13-7-3-2-6-12(13)17(10)20/h2-9H,1H3 |
| InChIKey | LNQDHCGNQBLSKO-UHFFFAOYSA-N |
| SMILES | C1(=[N+](C=2C([N+](=C1C)[O-])=CC=CC2)[O-])C(C1=CN=CC=C1)=O |